 Entering Gaussian System, Link 0=g16
 Input=08_d-glucose_conformer017_STD_wB97XD_augccpVDZ.in
 Output=08_d-glucose_conformer017_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-37447.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     37449.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=08_d-glucose_conformer017_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:01:25 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "08_d-glucose_conformer017_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.103833000000      1.009818000000     -0.209983000000
  C                                                -1.570306000000     -0.369923000000      0.212697000000
  C                                                 0.324123000000      1.253641000000      0.249838000000
  C                                                 1.222830000000      0.121513000000     -0.240321000000
  O                                                 0.705145000000     -1.138942000000      0.208674000000
  C                                                -0.586536000000     -1.430137000000     -0.281880000000
  O                                                -1.910414000000      2.042418000000      0.340859000000
  H                                                -1.128218000000      1.062960000000     -1.306660000000
  O                                                -2.866006000000     -0.568325000000     -0.328582000000
  H                                                -1.596077000000     -0.416660000000      1.310841000000
  H                                                 0.337357000000      1.266229000000      1.348141000000
  O                                                 0.825986000000      2.473522000000     -0.265600000000
  C                                                 2.640265000000      0.211823000000      0.287234000000
  H                                                 1.248854000000      0.130962000000     -1.337420000000
  O                                                -0.950649000000     -2.709583000000      0.142334000000
  H                                                -0.589437000000     -1.463330000000     -1.377835000000
  H                                                -2.823047000000      1.880045000000      0.074037000000
  H                                                -3.125518000000     -1.481971000000     -0.157714000000
  H                                                 0.162268000000      3.152342000000     -0.090965000000
  O                                                 3.454334000000     -0.829331000000     -0.219954000000
  H                                                 2.611068000000      0.195309000000      1.384726000000
  H                                                 3.082358000000      1.154012000000     -0.031043000000
  H                                                -0.805281000000     -2.757294000000      1.097051000000
  H                                                 2.999252000000     -1.661081000000     -0.040522000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 NAtoms=     24 NQM=       24 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          16           1          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  15.9949146   1.0078250  15.9949146   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   5.6000000   1.0000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   8.0000000   1.0000000   8.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          16          12           1          16           1           1           1           1          16
 AtmWgt=   1.0078250  15.9949146  12.0000000   1.0078250  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146
 NucSpn=           1           0           0           1           0           1           1           1           1           0
 AtZEff=   1.0000000   5.6000000   3.6000000   1.0000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   8.0000000   6.0000000   1.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000

  Atom        21          22          23          24
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 22:01:26 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.103833    1.009818   -0.209983
      2          6           0       -1.570306   -0.369923    0.212697
      3          6           0        0.324123    1.253641    0.249838
      4          6           0        1.222830    0.121513   -0.240321
      5          8           0        0.705145   -1.138942    0.208674
      6          6           0       -0.586536   -1.430137   -0.281880
      7          8           0       -1.910414    2.042418    0.340859
      8          1           0       -1.128218    1.062960   -1.306660
      9          8           0       -2.866006   -0.568325   -0.328582
     10          1           0       -1.596077   -0.416660    1.310841
     11          1           0        0.337357    1.266229    1.348141
     12          8           0        0.825986    2.473522   -0.265600
     13          6           0        2.640265    0.211823    0.287234
     14          1           0        1.248854    0.130962   -1.337420
     15          8           0       -0.950649   -2.709583    0.142334
     16          1           0       -0.589437   -1.463330   -1.377835
     17          1           0       -2.823047    1.880045    0.074037
     18          1           0       -3.125518   -1.481971   -0.157714
     19          1           0        0.162268    3.152342   -0.090965
     20          8           0        3.454334   -0.829331   -0.219954
     21          1           0        2.611068    0.195309    1.384726
     22          1           0        3.082358    1.154012   -0.031043
     23          1           0       -0.805281   -2.757294    1.097051
     24          1           0        2.999252   -1.661081   -0.040522
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.516556   0.000000
     3  C    1.519850   2.495236   0.000000
     4  C    2.490656   2.871993   1.526317   0.000000
     5  O    2.839867   2.401892   2.423082   1.434692   0.000000
     6  C    2.495225   1.528549   2.883520   2.383936   1.412047
     7  O    1.421359   2.439567   2.371415   3.720869   4.120640
     8  H    1.098235   2.134723   2.137367   2.747877   3.241270
     9  O    2.368513   1.418162   3.719012   4.147559   3.656141
    10  H    2.142440   1.099440   2.757318   3.262203   2.651808
    11  H    2.137879   2.757790   1.098455   2.148871   2.686727
    12  O    2.422751   3.749155   1.416211   2.385387   3.645468
    13  C    3.860349   4.251222   2.539940   1.515121   2.361234
    14  H    2.752933   3.255981   2.152887   1.097448   2.073326
    15  O    3.739189   2.421350   4.164582   3.589643   2.283192
    16  H    2.782974   2.165048   3.296338   2.662701   2.073205
    17  H    1.947732   2.578942   3.213715   4.422711   4.645487
    18  H    3.209198   1.947444   4.421504   4.635312   3.863404
    19  H    2.491503   3.937051   1.935823   3.214502   4.335853
    20  O    4.915227   5.064114   3.789155   2.425722   2.799575
    21  H    4.123956   4.379158   2.763721   2.138558   2.606888
    22  H    4.192494   4.901945   2.774289   2.137217   3.311532
    23  H    3.998575   2.658361   4.252167   3.766872   2.385302
    24  H    4.898747   4.755215   3.966892   2.524527   2.365936
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.768169   0.000000
     8  H    2.749386   2.070142   0.000000
     9  O    2.437393   2.859595   2.576361   0.000000
    10  H    2.140810   2.662093   3.042939   2.079286   0.000000
    11  H    3.283434   2.582549   3.039276   4.054445   2.563528
    12  O    4.151390   2.835759   2.625339   4.784099   4.087139
    13  C    3.664992   4.905368   4.179282   5.595255   4.403335
    14  H    2.630561   4.056015   2.553436   4.294046   3.925151
    15  O    1.396251   4.852018   4.045145   2.911244   2.653202
    16  H    1.096461   4.121791   2.584084   2.661716   3.055785
    17  H    4.010731   0.964602   2.333752   2.481625   2.882706
    18  H    2.542545   3.761166   3.433068   0.965034   2.372916
    19  H    4.647179   2.390484   2.740216   4.803152   4.218366
    20  O    4.085760   6.110808   5.075577   6.326660   5.293419
    21  H    3.955290   4.994524   4.688138   5.789378   4.252062
    22  H    4.494611   5.084815   4.400504   6.199839   5.114237
    23  H    1.926304   4.983009   4.525092   3.327251   2.479845
    24  H    3.601314   6.161670   5.104852   5.973135   4.948921
                   11         12         13         14         15
    11  H    0.000000
    12  O    2.073759   0.000000
    13  C    2.746030   2.951697   0.000000
    14  H    3.054815   2.610594   2.140576   0.000000
    15  O    4.349714   5.494308   4.631444   3.885380   0.000000
    16  H    3.967415   4.328890   4.001196   2.433663   1.998633
    17  H    3.462407   3.712548   5.716310   4.651008   4.957340
    18  H    4.670300   5.592133   6.025875   4.809198   2.515376
    19  H    2.378887   0.965306   3.863956   3.444279   5.971196
    20  O    4.070115   4.221272   1.415609   2.652364   4.803173
    21  H    2.513557   3.331718   1.098004   3.044642   4.761067
    22  H    3.074048   2.624374   1.088332   2.472850   5.587716
    23  H    4.190156   5.646174   4.619875   4.299784   0.966899
    24  H    4.193234   4.676397   1.934959   2.820861   4.090784
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.274939   0.000000
    18  H    2.814383   3.383541   0.000000
    19  H    4.850312   3.249319   5.682504   0.000000
    20  O    4.253790   6.843439   6.612433   5.167984   0.000000
    21  H    4.541592   5.838309   6.172585   4.113190   2.082302
    22  H    4.705997   5.950796   6.745530   3.538904   2.026747
    23  H    2.801070   5.159734   2.929912   6.105025   4.857557
    24  H    3.834866   6.815560   6.128509   5.587492   0.964937
                   21         22         23         24
    21  H    0.000000
    22  H    1.773592   0.000000
    23  H    4.524606   5.628912   0.000000
    24  H    2.372383   2.816335   4.119493   0.000000
 Stoichiometry    C6H12O6
 Framework group  C1[X(C6H12O6)]
 Deg. of freedom    66
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 0.00D+00
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.103833    1.009818   -0.209983
      2          6           0       -1.570306   -0.369923    0.212697
      3          6           0        0.324123    1.253641    0.249838
      4          6           0        1.222830    0.121513   -0.240321
      5          8           0        0.705145   -1.138942    0.208674
      6          6           0       -0.586536   -1.430137   -0.281880
      7          8           0       -1.910414    2.042418    0.340859
      8          1           0       -1.128218    1.062960   -1.306660
      9          8           0       -2.866006   -0.568325   -0.328582
     10          1           0       -1.596077   -0.416660    1.310841
     11          1           0        0.337357    1.266229    1.348141
     12          8           0        0.825986    2.473522   -0.265600
     13          6           0        2.640265    0.211823    0.287234
     14          1           0        1.248854    0.130962   -1.337420
     15          8           0       -0.950649   -2.709583    0.142334
     16          1           0       -0.589437   -1.463330   -1.377835
     17          1           0       -2.823047    1.880045    0.074037
     18          1           0       -3.125518   -1.481971   -0.157714
     19          1           0        0.162268    3.152342   -0.090965
     20          8           0        3.454334   -0.829331   -0.219954
     21          1           0        2.611068    0.195309    1.384726
     22          1           0        3.082358    1.154012   -0.031043
     23          1           0       -0.805281   -2.757294    1.097051
     24          1           0        2.999252   -1.661081   -0.040522
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1677891           0.7918127           0.4931779
 Leave Link  202 at Thu Aug 12 22:01:26 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     16     17     18     19     21     22
 Centers:      23     24
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6     13
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      7      9     12     15     20
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  36 primitive shells out of 432 were deleted.
 There are   408 symmetry adapted cartesian basis functions of A   symmetry.
 There are   384 symmetry adapted basis functions of A   symmetry.
   384 basis functions,   708 primitive gaussians,   408 cartesian basis functions
    48 alpha electrons       48 beta electrons
       nuclear repulsion energy       826.0583429574 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   24 NActive=   24 NUniq=   24 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0165675435 Hartrees.
 Nuclear repulsion after empirical dispersion term =      826.0417754139 Hartrees.
 Leave Link  301 at Thu Aug 12 22:01:28 2021, MaxMem=  5368709120 cpu:              16.9 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   384 RedAO= T EigKep=  6.54D-06  NBF=   384
 NBsUse=   384 1.00D-06 EigRej= -1.00D+00 NBFU=   384
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   408   408   408   408   408 MxSgAt=    24 MxSgA2=    24.
 Leave Link  302 at Thu Aug 12 22:01:29 2021, MaxMem=  5368709120 cpu:               6.0 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:01:29 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "08_d-glucose_conformer017_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:01:30 2021, MaxMem=  5368709120 cpu:               5.5 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368369012 LenY=  5368202107
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -687.085507915897    
 DIIS: error= 2.16D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -687.085507915897     IErMin= 1 ErrMin= 2.16D-03
 ErrMax= 2.16D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-02 BMatP= 1.13D-02
 IDIUse=3 WtCom= 9.78D-01 WtEn= 2.16D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.448 Goal=   None    Shift=    0.000
 GapD=    0.448 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.08D-02 MaxDP=9.06D-01              OVMax= 1.66D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.01D-02    CP:  8.71D-01
 E= -687.094942510768     Delta-E=       -0.009434594871 Rises=F Damp=F
 DIIS: error= 3.85D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -687.094942510768     IErMin= 2 ErrMin= 3.85D-04
 ErrMax= 3.85D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.88D-04 BMatP= 1.13D-02
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.85D-03
 Coeff-Com: -0.319D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.317D-01 0.103D+01
 Gap=     0.392 Goal=   None    Shift=    0.000
 RMSDP=1.64D-03 MaxDP=1.25D-01 DE=-9.43D-03 OVMax= 4.99D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.61D-04    CP:  8.45D-01  1.12D+00
 E= -687.095189274948     Delta-E=       -0.000246764179 Rises=F Damp=F
 DIIS: error= 3.53D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -687.095189274948     IErMin= 3 ErrMin= 3.53D-04
 ErrMax= 3.53D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.57D-04 BMatP= 2.88D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.53D-03
 Coeff-Com: -0.421D-01 0.516D+00 0.526D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.419D-01 0.514D+00 0.528D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=2.06D-04 MaxDP=1.71D-02 DE=-2.47D-04 OVMax= 1.81D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.98D-05    CP:  8.41D-01  1.13D+00  1.13D+00
 E= -687.095369833940     Delta-E=       -0.000180558992 Rises=F Damp=F
 DIIS: error= 4.02D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -687.095369833940     IErMin= 4 ErrMin= 4.02D-05
 ErrMax= 4.02D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.27D-06 BMatP= 2.57D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.402D-03-0.532D-01 0.621D-01 0.991D+00
 Coeff:     -0.402D-03-0.532D-01 0.621D-01 0.991D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.98D-04 MaxDP=2.10D-02 DE=-1.81D-04 OVMax= 8.39D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.61D-05    CP:  8.37D-01  1.13D+00  1.28D+00  1.51D+00
 E= -687.095377800495     Delta-E=       -0.000007966555 Rises=F Damp=F
 DIIS: error= 2.94D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -687.095377800495     IErMin= 5 ErrMin= 2.94D-05
 ErrMax= 2.94D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.60D-07 BMatP= 5.27D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.334D-02-0.618D-01-0.189D-01 0.375D+00 0.702D+00
 Coeff:      0.334D-02-0.618D-01-0.189D-01 0.375D+00 0.702D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=3.59D-05 MaxDP=3.88D-03 DE=-7.97D-06 OVMax= 2.18D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.05D-05    CP:  8.37D-01  1.13D+00  1.31D+00  1.64D+00  1.18D+00
 E= -687.095378869972     Delta-E=       -0.000001069477 Rises=F Damp=F
 DIIS: error= 3.74D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -687.095378869972     IErMin= 6 ErrMin= 3.74D-06
 ErrMax= 3.74D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.66D-08 BMatP= 8.60D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.518D-03-0.526D-02-0.614D-02-0.250D-01 0.122D+00 0.914D+00
 Coeff:      0.518D-03-0.526D-02-0.614D-02-0.250D-01 0.122D+00 0.914D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=7.91D-06 MaxDP=7.29D-04 DE=-1.07D-06 OVMax= 7.89D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.91D-06    CP:  8.36D-01  1.13D+00  1.31D+00  1.68D+00  1.25D+00
                    CP:  1.09D+00
 E= -687.095378930523     Delta-E=       -0.000000060552 Rises=F Damp=F
 DIIS: error= 1.34D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -687.095378930523     IErMin= 7 ErrMin= 1.34D-06
 ErrMax= 1.34D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.14D-09 BMatP= 3.66D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.100D-03 0.334D-02 0.340D-04-0.401D-01-0.143D-01 0.291D+00
 Coeff-Com:  0.760D+00
 Coeff:     -0.100D-03 0.334D-02 0.340D-04-0.401D-01-0.143D-01 0.291D+00
 Coeff:      0.760D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.61D-06 MaxDP=8.57D-05 DE=-6.06D-08 OVMax= 2.03D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.89D-07    CP:  8.36D-01  1.13D+00  1.31D+00  1.69D+00  1.26D+00
                    CP:  1.12D+00  1.21D+00
 E= -687.095378936208     Delta-E=       -0.000000005685 Rises=F Damp=F
 DIIS: error= 6.43D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -687.095378936208     IErMin= 8 ErrMin= 6.43D-07
 ErrMax= 6.43D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.61D-10 BMatP= 5.14D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.918D-04 0.194D-02 0.751D-03-0.144D-01-0.186D-01 0.200D-01
 Coeff-Com:  0.321D+00 0.689D+00
 Coeff:     -0.918D-04 0.194D-02 0.751D-03-0.144D-01-0.186D-01 0.200D-01
 Coeff:      0.321D+00 0.689D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=6.15D-07 MaxDP=4.46D-05 DE=-5.68D-09 OVMax= 6.75D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.20D-07    CP:  8.36D-01  1.13D+00  1.31D+00  1.69D+00  1.26D+00
                    CP:  1.13D+00  1.27D+00  1.14D+00
 E= -687.095378937051     Delta-E=       -0.000000000843 Rises=F Damp=F
 DIIS: error= 1.23D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -687.095378937051     IErMin= 9 ErrMin= 1.23D-07
 ErrMax= 1.23D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.38D-11 BMatP= 8.61D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.131D-04 0.138D-03 0.204D-03 0.587D-03-0.302D-02-0.259D-01
 Coeff-Com: -0.395D-03 0.172D+00 0.856D+00
 Coeff:     -0.131D-04 0.138D-03 0.204D-03 0.587D-03-0.302D-02-0.259D-01
 Coeff:     -0.395D-03 0.172D+00 0.856D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=2.98D-07 MaxDP=2.70D-05 DE=-8.43D-10 OVMax= 2.80D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  8.93D-08    CP:  8.36D-01  1.13D+00  1.31D+00  1.69D+00  1.26D+00
                    CP:  1.13D+00  1.29D+00  1.20D+00  1.30D+00
 E= -687.095378937150     Delta-E=       -0.000000000100 Rises=F Damp=F
 DIIS: error= 4.43D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -687.095378937150     IErMin=10 ErrMin= 4.43D-08
 ErrMax= 4.43D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.66D-12 BMatP= 4.38D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.393D-05-0.136D-03-0.277D-05 0.165D-02 0.644D-03-0.115D-01
 Coeff-Com: -0.294D-01-0.248D-02 0.295D+00 0.747D+00
 Coeff:      0.393D-05-0.136D-03-0.277D-05 0.165D-02 0.644D-03-0.115D-01
 Coeff:     -0.294D-01-0.248D-02 0.295D+00 0.747D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=7.07D-08 MaxDP=6.05D-06 DE=-9.96D-11 OVMax= 7.55D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.47D-08    CP:  8.36D-01  1.13D+00  1.31D+00  1.68D+00  1.26D+00
                    CP:  1.13D+00  1.29D+00  1.22D+00  1.39D+00  1.16D+00
 E= -687.095378937042     Delta-E=        0.000000000109 Rises=F Damp=F
 DIIS: error= 1.41D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -687.095378937150     IErMin=11 ErrMin= 1.41D-08
 ErrMax= 1.41D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.32D-13 BMatP= 5.66D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.212D-05-0.505D-04-0.220D-04 0.452D-03 0.435D-03-0.127D-02
 Coeff-Com: -0.904D-02-0.163D-01 0.141D-01 0.237D+00 0.775D+00
 Coeff:      0.212D-05-0.505D-04-0.220D-04 0.452D-03 0.435D-03-0.127D-02
 Coeff:     -0.904D-02-0.163D-01 0.141D-01 0.237D+00 0.775D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.58D-08 MaxDP=1.07D-06 DE= 1.09D-10 OVMax= 2.64D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  6.32D-09    CP:  8.36D-01  1.13D+00  1.31D+00  1.68D+00  1.26D+00
                    CP:  1.13D+00  1.29D+00  1.22D+00  1.42D+00  1.23D+00
                    CP:  1.15D+00
 E= -687.095378937076     Delta-E=       -0.000000000034 Rises=F Damp=F
 DIIS: error= 5.95D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -687.095378937150     IErMin=12 ErrMin= 5.95D-09
 ErrMax= 5.95D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-13 BMatP= 5.32D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.568D-06-0.719D-05-0.105D-04 0.116D-04 0.126D-03 0.759D-03
 Coeff-Com: -0.273D-03-0.615D-02-0.290D-01 0.102D-01 0.336D+00 0.688D+00
 Coeff:      0.568D-06-0.719D-05-0.105D-04 0.116D-04 0.126D-03 0.759D-03
 Coeff:     -0.273D-03-0.615D-02-0.290D-01 0.102D-01 0.336D+00 0.688D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=6.39D-09 MaxDP=4.69D-07 DE=-3.41D-11 OVMax= 9.41D-08

 SCF Done:  E(RwB97XD) =  -687.095378937     A.U. after   12 cycles
            NFock= 12  Conv=0.64D-08     -V/T= 2.0059
 KE= 6.830819804541D+02 PE=-3.264120895219D+03 EE= 1.067901760414D+03
 Leave Link  502 at Thu Aug 12 22:10:22 2021, MaxMem=  5368709120 cpu:            4245.5 elap:             531.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   384
 NBasis=   384 NAE=    48 NBE=    48 NFC=     0 NFV=     0
 NROrb=    384 NOA=    48 NOB=    48 NVA=   336 NVB=   336

 **** Warning!!: The largest alpha MO coefficient is  0.60878960D+02

 Leave Link  801 at Thu Aug 12 22:10:22 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7447 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          24
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.69D-13 8.33D-09 XBig12= 1.00D+00 1.07D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.69D-13 8.33D-09 XBig12= 1.78D-01 4.61D-02.
     11 vectors produced by pass  2 Test12= 2.69D-13 8.33D-09 XBig12= 3.78D-02 2.07D-02.
     11 vectors produced by pass  3 Test12= 2.69D-13 8.33D-09 XBig12= 3.70D-03 7.98D-03.
     11 vectors produced by pass  4 Test12= 2.69D-13 8.33D-09 XBig12= 4.36D-04 3.30D-03.
     11 vectors produced by pass  5 Test12= 2.69D-13 8.33D-09 XBig12= 2.28D-05 5.76D-04.
     11 vectors produced by pass  6 Test12= 2.69D-13 8.33D-09 XBig12= 8.56D-07 1.06D-04.
     11 vectors produced by pass  7 Test12= 2.69D-13 8.33D-09 XBig12= 2.52D-08 1.83D-05.
     11 vectors produced by pass  8 Test12= 2.69D-13 8.33D-09 XBig12= 9.38D-10 3.59D-06.
     11 vectors produced by pass  9 Test12= 2.69D-13 8.33D-09 XBig12= 2.93D-11 6.26D-07.
      8 vectors produced by pass 10 Test12= 2.69D-13 8.33D-09 XBig12= 7.18D-13 8.95D-08.
      2 vectors produced by pass 11 Test12= 2.69D-13 8.33D-09 XBig12= 2.07D-14 1.41D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   120 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.110236D+03
      2  0.144085D+01  0.104848D+03
      3  0.318107D+00 -0.347370D+00  0.853558D+02
 Isotropic polarizability for W=    0.088559      100.15 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.289411D+02 -0.168201D+02 -0.952249D+01
      2  -0.253730D+02  0.186101D+02  0.406308D+01
      3  -0.356813D+01 -0.178993D+01  0.545941D+01
      4  -0.768575D+00 -0.953933D+01  0.144296D+01
      5  -0.251852D+01  0.201383D+01  0.107422D+02
      6  -0.368589D+01  0.728370D+01  0.256181D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.434443D+00 -0.369102D+01 -0.216157D+01
      2  -0.273906D+01  0.167940D+01  0.639135D+01
      3   0.119277D+02 -0.123151D+02 -0.312939D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.570863D+00  0.322062D+01 -0.435174D+01
      2  -0.700397D+01  0.512885D+01  0.143103D+02
      3   0.160516D+02 -0.158336D+02 -0.569972D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.582278D+00  0.113460D+01 -0.979047D+00
      2   0.113460D+01 -0.652588D-01  0.129053D+01
      3  -0.979047D+00  0.129053D+01 -0.368008D+00
 OR G Eigenvalues:    -2.6101     0.4674     1.1271  Iso=     0.3385
 Eigenvectors:
   (1)   0.592693  -0.558536   0.580304
   (2)   0.775325   0.200511  -0.598888
   (3)   0.218143   0.804881   0.551888
 w=    0.088559 a.u., Optical Rotation Beta=      0.3385 au.
 Molar Mass =    180.1572 grams/mole, [Alpha] ( 5145.0 A) =       95.28 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   73920 ScalPx= 9.99D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   73920 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 5.12D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.48D-14 2.78D-09 XBig12= 1.00D+00 3.49D-01.
     30 vectors produced by pass  1 Test12= 4.48D-14 2.78D-09 XBig12= 4.99D-02 2.23D-02.
     30 vectors produced by pass  2 Test12= 4.48D-14 2.78D-09 XBig12= 2.33D-03 4.53D-03.
     30 vectors produced by pass  3 Test12= 4.48D-14 2.78D-09 XBig12= 4.55D-05 6.25D-04.
     30 vectors produced by pass  4 Test12= 4.48D-14 2.78D-09 XBig12= 9.57D-07 8.30D-05.
     30 vectors produced by pass  5 Test12= 4.48D-14 2.78D-09 XBig12= 1.46D-08 8.74D-06.
     30 vectors produced by pass  6 Test12= 4.48D-14 2.78D-09 XBig12= 1.38D-10 9.55D-07.
     30 vectors produced by pass  7 Test12= 4.48D-14 2.78D-09 XBig12= 1.08D-12 8.01D-08.
     16 vectors produced by pass  8 Test12= 4.48D-14 2.78D-09 XBig12= 1.06D-14 8.87D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   256 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   73920 ScalPx= 3.30D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   73920 ScalPx= 3.30D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   73920 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.46D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.110236D+03  0.144085D+01  0.318107D+00
      2   0.144085D+01  0.104848D+03 -0.347370D+00
      3   0.318107D+00 -0.347370D+00  0.853558D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.434443D+00 -0.369102D+01 -0.216157D+01
      2  -0.273906D+01  0.167940D+01  0.639135D+01
      3   0.119277D+02 -0.123151D+02 -0.312939D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.289411D+02 -0.168201D+02 -0.952249D+01
      2  -0.253730D+02  0.186101D+02  0.406308D+01
      3  -0.356813D+01 -0.178993D+01  0.545941D+01
      4  -0.768575D+00 -0.953933D+01  0.144296D+01
      5  -0.251852D+01  0.201383D+01  0.107422D+02
      6  -0.368589D+01  0.728370D+01  0.256181D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.254333D+01 -0.215034D+01 -0.104950D+01 -0.260372D+01  0.261442D+01
      2  -0.215034D+01  0.310420D+01  0.216991D+00  0.261442D+01  0.381754D+00
      3  -0.104950D+01  0.216991D+00 -0.780414D+00  0.326181D+00 -0.101076D+01
                 6             7             8             9            10 
      1   0.326181D+00 -0.136402D+01  0.678073D+00 -0.764931D-01  0.331689D+01
      2  -0.101076D+01  0.678073D+00 -0.151074D+01 -0.523948D+00  0.181986D+01
      3   0.516971D+00 -0.764931D-01 -0.523948D+00  0.840601D+01  0.131199D+01
                11            12            13            14            15 
      1   0.181986D+01  0.131199D+01  0.177225D+01 -0.239424D+01 -0.208490D+00
      2  -0.157264D+01  0.580400D-01 -0.239424D+01 -0.138274D+01  0.620730D+00
      3   0.580400D-01 -0.156599D+01 -0.208490D+00  0.620730D+00  0.519015D+00
                16            17            18            19            20 
      1   0.222754D+01 -0.123822D+00 -0.239600D-01  0.218010D+01  0.205188D+01
      2  -0.123822D+00  0.594024D+00  0.509791D+00  0.205188D+01 -0.269992D+01
      3  -0.239600D-01  0.509791D+00 -0.866252D+01  0.895604D+00  0.154090D+00
                21            22            23            24            25 
      1   0.895604D+00  0.155271D+01 -0.332494D+01 -0.288044D-01  0.115091D+01
      2   0.154090D+00 -0.332494D+01 -0.164538D+01  0.110850D+01  0.375002D+00
      3   0.384835D+00 -0.288044D-01  0.110850D+01  0.115265D+01 -0.211541D+00
                26            27            28            29            30 
      1   0.375002D+00 -0.211541D+00 -0.234782D+01 -0.123537D+00 -0.109158D+01
      2   0.191968D+01  0.432585D+00 -0.123537D+00  0.290003D+01 -0.263317D+00
      3   0.432585D+00 -0.825986D+01 -0.109158D+01 -0.263317D+00 -0.483925D+00
                31            32            33            34            35 
      1   0.537367D+00  0.407579D+01  0.464666D+00 -0.145911D+01  0.113088D+00
      2   0.407579D+01  0.201408D+01 -0.103398D+01  0.113088D+00 -0.132886D+01
      3   0.464666D+00 -0.103398D+01 -0.806585D+00 -0.256037D+00  0.921913D-01
                36            37            38            39            40 
      1  -0.256037D+00  0.616210D+01 -0.122203D+00  0.795740D+00 -0.147516D+01
      2   0.921913D-01 -0.122203D+00 -0.402573D-01 -0.486821D+00 -0.727659D+00
      3   0.859409D+01  0.795740D+00 -0.486821D+00 -0.249275D+00 -0.228538D+00
                41            42            43            44            45 
      1  -0.727659D+00 -0.228538D+00  0.280672D+01  0.655729D+00  0.421494D+00
      2  -0.410461D+01  0.768317D+00  0.655729D+00  0.175999D+01 -0.497492D+00
      3   0.768317D+00  0.523302D+00  0.421494D+00 -0.497492D+00 -0.147385D+01
                46            47            48            49            50 
      1  -0.366516D+01 -0.295604D+01 -0.667332D+00 -0.136037D+01  0.200583D+01
      2  -0.295604D+01  0.938275D+00  0.712169D+00  0.200583D+01  0.125599D+01
      3  -0.667332D+00  0.712169D+00  0.420626D+00 -0.393608D-03 -0.357425D+00
                51            52            53            54            55 
      1  -0.393608D-03 -0.190153D+01  0.893342D-01  0.105700D+00  0.328458D+01
      2  -0.357425D+00  0.893342D-01 -0.109000D+01  0.184313D-01  0.198831D+01
      3  -0.205130D+01  0.105700D+00  0.184313D-01  0.845695D+01  0.142403D+01
                56            57            58            59            60 
      1   0.198831D+01  0.142403D+01  0.324193D+01 -0.283541D+01 -0.232107D+00
      2  -0.143762D+01 -0.896909D-01 -0.283541D+01  0.643752D+01  0.114630D+01
      3  -0.896909D-01  0.846279D+00 -0.232107D+00  0.114630D+01  0.125514D+00
                61            62            63            64            65 
      1   0.288811D+01 -0.114174D+01 -0.576171D+00  0.429776D+00  0.337078D+00
      2  -0.114174D+01  0.226855D+01  0.136409D+01  0.337078D+00 -0.547339D+00
      3  -0.576171D+00  0.136409D+01  0.235289D+00 -0.894103D+00  0.601247D-01
                66            67            68            69            70 
      1  -0.894103D+00  0.440941D+00 -0.481011D+00  0.770306D-01 -0.181265D+01
      2   0.601247D-01 -0.481011D+00  0.586646D-01 -0.988611D+00  0.176692D+00
      3   0.185279D-01  0.770306D-01 -0.988611D+00  0.265931D+00 -0.391274D+00
                71            72            73            74            75 
      1   0.176692D+00 -0.391274D+00 -0.779193D+01 -0.100574D+00 -0.112611D+01
      2  -0.174374D+01  0.683031D+00 -0.100574D+00  0.636741D+00 -0.222190D+00
      3   0.683031D+00 -0.752586D+01 -0.112611D+01 -0.222190D+00  0.603520D+00
                76            77            78            79            80 
      1   0.287807D+01  0.965708D+00  0.154845D+00 -0.294042D+01 -0.644940D+00
      2   0.965708D+00  0.430391D+01 -0.924784D+00 -0.644940D+00 -0.136271D+01
      3   0.154845D+00 -0.924784D+00  0.947593D+00 -0.131461D+01 -0.604185D-01
                81            82            83            84            85 
      1  -0.131461D+01 -0.615406D+00 -0.304299D+00  0.960061D+00 -0.397049D+00
      2  -0.604185D-01 -0.304299D+00  0.407322D+00  0.698933D-02  0.341283D+00
      3  -0.233046D+00  0.960061D+00  0.698933D-02  0.809716D-01  0.396465D-01
                86            87            88            89            90 
      1   0.341283D+00  0.396465D-01  0.185525D+01  0.204059D+00 -0.550424D+00
      2   0.685492D-01  0.103894D+01  0.204059D+00  0.171232D+01 -0.521507D+00
      3   0.103894D+01 -0.542110D+00 -0.550424D+00 -0.521507D+00  0.773475D+01
                91            92            93            94            95 
      1  -0.150815D+00 -0.403741D+00  0.932468D+00 -0.295195D+00  0.533380D+00
      2  -0.403741D+00  0.487563D+00  0.572945D-01  0.533380D+00  0.402340D+00
      3   0.932468D+00  0.572945D-01  0.456591D-01  0.805516D-01  0.985716D+00
                96            97            98            99           100 
      1   0.805516D-01  0.179145D+01 -0.276918D-01  0.333385D+00  0.400060D+01
      2   0.985716D+00 -0.276918D-01  0.180210D+01  0.420795D+00  0.601144D+00
      3  -0.280252D-01  0.333385D+00  0.420795D+00  0.762355D+01 -0.906602D+00
               101           102           103           104           105 
      1   0.601144D+00 -0.906602D+00 -0.176497D+00  0.405506D+01  0.675430D-01
      2   0.559967D+01 -0.104670D+00  0.405506D+01  0.259595D+01 -0.922922D+00
      3  -0.104670D+00  0.491800D+00  0.675430D-01 -0.922922D+00 -0.788947D+00
               106           107           108           109           110 
      1  -0.117977D+01 -0.307380D+00  0.825614D+00  0.283831D+01  0.385512D+00
      2  -0.307380D+00 -0.258166D+01  0.102758D+01  0.385512D+00 -0.244973D+01
      3   0.825614D+00  0.102758D+01 -0.126902D+00  0.180791D+01  0.308433D+00
               111           112           113           114           115 
      1   0.180791D+01  0.565108D+00 -0.413778D+01  0.358274D-01  0.227639D+01
      2   0.308433D+00 -0.413778D+01 -0.252291D+01  0.134183D+01 -0.240920D+00
      3   0.120329D+01  0.358274D-01  0.134183D+01 -0.620916D+00 -0.654588D+00
               116           117           118           119           120 
      1  -0.240920D+00 -0.654588D+00  0.107217D+01  0.199966D+00 -0.977617D+00
      2   0.150537D+01 -0.130526D+01  0.199966D+00 -0.316568D+00  0.607994D-01
      3  -0.130526D+01 -0.762741D+01 -0.977617D+00  0.607994D-01  0.655927D+00
               121           122           123           124           125 
      1   0.181914D+00 -0.389718D+00 -0.247875D+00 -0.210719D+01 -0.178526D+00
      2  -0.389718D+00  0.120402D-01 -0.980930D+00 -0.178526D+00 -0.159156D+01
      3  -0.247875D+00 -0.980930D+00  0.177239D+00  0.962105D+00  0.159742D+00
               126           127           128           129           130 
      1   0.962105D+00 -0.110879D+01 -0.148189D+01  0.192560D+00 -0.171473D+01
      2   0.159742D+00 -0.148189D+01 -0.139394D+01  0.230145D+00 -0.154237D+01
      3  -0.756179D+01  0.192560D+00  0.230145D+00 -0.350679D+00 -0.733771D-01
               131           132           133           134           135 
      1  -0.154237D+01 -0.733771D-01 -0.216005D+00 -0.144373D+00 -0.252830D+00
      2  -0.855058D+01 -0.314914D+00 -0.144373D+00 -0.196414D+01  0.843914D+00
      3  -0.314914D+00  0.106142D+01 -0.252830D+00  0.843914D+00 -0.556638D+01
               136           137           138           139           140 
      1   0.163967D+00  0.710831D-01 -0.110519D+01  0.103335D+00 -0.425916D+00
      2   0.710831D-01 -0.275458D+00 -0.164521D+00 -0.425916D+00 -0.990714D+00
      3  -0.110519D+01 -0.164521D+00 -0.176648D+00  0.107140D-01 -0.963956D+00
               141           142           143           144           145 
      1   0.107140D-01 -0.181242D+01 -0.446682D+00 -0.412921D+00 -0.862742D+01
      2  -0.963956D+00 -0.446682D+00 -0.186873D+01 -0.146758D+01  0.166735D+01
      3  -0.251376D+00 -0.412921D+00 -0.146758D+01 -0.780975D+01 -0.524539D+00
               146           147           148           149           150 
      1   0.166735D+01 -0.524539D+00 -0.799873D-01 -0.699052D+00  0.747485D-02
      2  -0.189286D+01 -0.773243D-01 -0.699052D+00  0.312702D+00 -0.238244D+00
      3  -0.773243D-01 -0.128559D+01  0.747485D-02 -0.238244D+00  0.142081D+00
               151           152           153           154           155 
      1  -0.155343D+01  0.269534D+00 -0.999256D+00 -0.269778D+01 -0.193977D+01
      2   0.269534D+00 -0.524661D+00  0.356532D+00 -0.193977D+01 -0.216419D+01
      3  -0.999256D+00  0.356532D+00 -0.134855D+00  0.138343D+00  0.213996D-01
               156           157           158           159           160 
      1   0.138343D+00 -0.409161D+01 -0.311161D+01 -0.149599D+00  0.672746D+00
      2   0.213996D-01 -0.311161D+01 -0.568011D+01  0.225439D+00  0.331136D+00
      3  -0.647089D+00 -0.149599D+00  0.225439D+00 -0.104452D+01 -0.766903D+00
               161           162           163           164           165 
      1   0.331136D+00 -0.766903D+00 -0.194921D+01  0.144553D+01  0.223976D+00
      2   0.671986D+00 -0.631785D+00  0.144553D+01 -0.372182D+01  0.507125D-01
      3  -0.631785D+00 -0.225605D-02  0.223976D+00  0.507125D-01 -0.492468D+00
               166           167           168           169           170 
      1   0.174832D+01 -0.150056D+01 -0.106548D+00  0.368157D+00 -0.171019D+00
      2  -0.150056D+01  0.675796D+01  0.149553D+00 -0.171019D+00  0.796779D+00
      3  -0.106548D+00  0.149553D+00  0.109419D+01 -0.151384D+00  0.898536D+00
               171           172           173           174           175 
      1  -0.151384D+00  0.763517D+01 -0.235623D+01 -0.137063D+01 -0.125181D+01
      2   0.898536D+00 -0.235623D+01  0.339859D+01  0.958793D-02  0.354274D+01
      3  -0.620843D-01 -0.137063D+01  0.958793D-02  0.391284D+00  0.260906D-01
               176           177           178           179           180 
      1   0.354274D+01  0.260906D-01 -0.235089D+01  0.700710D+00  0.167591D+01
      2   0.161569D+01 -0.741314D+00  0.700710D+00 -0.151000D+01 -0.575553D+00
      3  -0.741314D+00  0.833933D+00  0.167591D+01 -0.575553D+00 -0.605406D+00
               181           182           183           184           185 
      1  -0.376682D+00  0.296136D+00  0.999660D+00 -0.258526D+00  0.692865D+00
      2   0.296136D+00  0.251783D+00 -0.107692D+00  0.692865D+00  0.432271D+00
      3   0.999660D+00 -0.107692D+00 -0.318931D+00 -0.287570D-01  0.937089D+00
               186           187           188           189           190 
      1  -0.287570D-01  0.238660D+01 -0.178859D+00  0.134752D+01  0.263733D+01
      2   0.937089D+00 -0.178859D+00  0.151470D+01  0.111618D+01  0.206119D+01
      3  -0.877589D-01  0.134752D+01  0.111618D+01  0.840726D+01 -0.693183D+00
               191           192           193           194           195 
      1   0.206119D+01 -0.693183D+00  0.331700D+01  0.267647D+01 -0.194089D+00
      2   0.210627D+01 -0.197130D+00  0.267647D+01  0.545490D+01 -0.815690D+00
      3  -0.197130D+00  0.620215D+00 -0.194089D+00 -0.815690D+00  0.931649D+00
               196           197           198           199           200 
      1  -0.159552D+01 -0.383217D+00  0.868431D+00 -0.134724D+00 -0.440721D+00
      2  -0.383217D+00 -0.146484D+01  0.101136D+01 -0.440721D+00  0.258976D+00
      3   0.868431D+00  0.101136D+01 -0.160094D+00  0.504163D+00 -0.238877D+00
               201           202           203           204           205 
      1   0.504163D+00 -0.358926D+00 -0.320375D-02  0.370640D-01  0.135749D+01
      2  -0.238877D+00 -0.320375D-02 -0.130249D+01  0.786097D+00  0.328630D+00
      3   0.610880D+00  0.370640D-01  0.786097D+00 -0.824848D+00 -0.112817D+00
               206           207           208           209           210 
      1   0.328630D+00 -0.112817D+00 -0.171191D+01 -0.545684D+00  0.219883D+00
      2   0.320664D+01 -0.267606D+01 -0.545684D+00 -0.157707D+01  0.545816D-02
      3  -0.267606D+01  0.628953D+01  0.219883D+00  0.545816D-02 -0.228045D-01
               211           212           213           214           215 
      1  -0.227537D+01  0.699479D-01  0.170943D+00  0.511582D+00  0.671827D-01
      2   0.699479D-01 -0.592479D+01  0.185015D+00  0.671827D-01  0.789506D+00
      3   0.170943D+00  0.185015D+00 -0.124511D+01  0.211055D+00 -0.675155D+00
               216 
      1   0.211055D+00
      2  -0.675155D+00
      3   0.646357D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.135929D+01 -0.718238D-01 -0.866010D+00 -0.146750D+01  0.809864D+00
      2   0.154017D+01 -0.295791D+00  0.423639D+00 -0.434612D+00  0.221257D+01
      3  -0.356024D+01 -0.172459D+01 -0.116136D+01  0.358462D+01  0.212234D+01
                 6             7             8             9            10 
      1  -0.290738D+00 -0.553650D-01  0.399712D+01 -0.716220D+01  0.664443D+00
      2   0.596166D+00 -0.289254D+01  0.345809D+00 -0.824764D+01 -0.213012D+01
      3  -0.370880D+00  0.118598D+00 -0.132219D+01 -0.662026D+00  0.871971D+00
                11            12            13            14            15 
      1  -0.611535D+00 -0.253398D+00  0.288916D+00 -0.134416D+01 -0.100027D+01
      2  -0.111213D+01  0.122142D+01 -0.451347D-01 -0.233721D+01 -0.175687D+01
      3  -0.593552D+01 -0.721695D+00 -0.107679D+00 -0.392577D+00  0.205031D+01
                16            17            18            19            20 
      1  -0.675869D+00  0.231600D+01 -0.412654D+01 -0.102983D+01 -0.384459D+00
      2  -0.328917D+01 -0.130458D+01  0.108575D+02 -0.113775D+01  0.240054D+00
      3  -0.119286D+01  0.124013D+01  0.856691D+00  0.185774D+01  0.156928D+00
                21            22            23            24            25 
      1   0.694805D+00 -0.420020D+00 -0.186069D+01 -0.204139D+00  0.115962D+01
      2   0.132467D+01 -0.838683D+00  0.444049D+00 -0.220854D+00 -0.352907D+01
      3   0.134730D+01  0.601735D+01 -0.443691D+01 -0.120066D+01  0.139462D+01
                26            27            28            29            30 
      1   0.264989D+01  0.870612D+01  0.810727D+00 -0.396642D+00  0.151865D+01
      2  -0.982050D-01 -0.177941D+01 -0.230464D+01 -0.394804D+00 -0.455347D+00
      3   0.241967D+00 -0.836558D+00 -0.525456D+01 -0.853934D+01 -0.532035D+00
                31            32            33            34            35 
      1  -0.114219D+01  0.107806D+01  0.183090D+01  0.162230D+01  0.312690D+01
      2  -0.516951D+00 -0.153818D+01 -0.216146D+01 -0.496791D+01  0.175757D+01
      3  -0.580304D+01 -0.220136D+01  0.223358D+01 -0.461818D+00  0.115674D+01
                36            37            38            39            40 
      1  -0.368884D+01  0.100924D+01  0.492547D+00 -0.289350D+01  0.879195D+00
      2   0.144703D+02  0.823713D+00  0.418058D+00  0.841076D+01  0.197704D+00
      3  -0.365127D+00 -0.951791D+01 -0.707397D+01 -0.998771D+00  0.110383D+02
                41            42            43            44            45 
      1   0.707371D+00 -0.601660D+01  0.247368D+01  0.426593D+01 -0.950521D-01
      2   0.114192D+01  0.220578D+01 -0.508020D+01 -0.249554D+01  0.694583D+00
      3   0.529918D+01 -0.931936D+00 -0.358496D+01 -0.229680D+01 -0.285775D+00
                46            47            48            49            50 
      1  -0.598213D+00 -0.115720D+00  0.202522D+01 -0.659806D+00 -0.126653D+01
      2   0.124747D+01  0.967442D-01 -0.483250D+01 -0.597841D+00  0.152165D+01
      3   0.340467D+01  0.507501D+01  0.127548D+01  0.389879D+01  0.829953D+00
                51            52            53            54            55 
      1  -0.116629D+01 -0.118765D+01  0.295851D+01  0.124724D+02 -0.300165D+01
      2   0.125030D+00 -0.416398D+01 -0.154646D+01 -0.880499D+01 -0.607060D+01
      3  -0.127847D+01  0.265042D+01 -0.114997D+01 -0.115103D+00  0.143285D+02
                56            57            58            59            60 
      1   0.111563D+00  0.494735D+00  0.146592D+01 -0.197210D+01 -0.539995D+01
      2   0.170769D+01  0.157095D+01  0.312898D+00 -0.198945D+01 -0.263131D+01
      3  -0.192359D+01  0.242149D+01  0.783065D+01  0.866168D+01  0.104442D+01
                61            62            63            64            65 
      1   0.383258D+00  0.108044D+01 -0.215589D+01  0.668196D+00 -0.944958D-01
      2  -0.394888D+01 -0.149036D+01 -0.217997D+01  0.150433D+01 -0.239452D+00
      3   0.515709D+01  0.341942D+01  0.144947D+01  0.851002D+00 -0.125779D+01
                66            67            68            69            70 
      1  -0.520851D+00 -0.139351D+00  0.129249D+01 -0.762934D+00 -0.687597D-01
      2   0.816522D+00 -0.331605D-01  0.774555D+00  0.283172D+00 -0.382164D+01
      3  -0.666677D+00  0.978119D+00 -0.419809D+00 -0.949307D+00 -0.199444D+01
                71            72            73            74            75 
      1   0.366487D+01  0.734130D+01 -0.153153D+01 -0.551357D+00 -0.266545D+00
      2  -0.356176D+00  0.842936D+01  0.359583D+01  0.173953D+01  0.588573D+01
      3  -0.192352D+01  0.559338D+00  0.710465D+01 -0.357977D+01  0.228884D+00
                76            77            78            79            80 
      1  -0.227754D+01 -0.264196D+01 -0.910563D+00  0.531017D+00  0.394406D+01
      2   0.824247D+00  0.325953D+01 -0.211009D+01 -0.356518D+00 -0.512458D+00
      3   0.473207D+01  0.178918D+02 -0.206116D+01  0.109001D+01 -0.498942D+01
                81            82            83            84            85 
      1  -0.706979D+00  0.310219D+00  0.382421D+00  0.496950D+00  0.587710D+00
      2   0.253285D+01 -0.183520D+01 -0.275931D-02  0.351214D+00  0.258763D+00
      3   0.711171D+00 -0.104926D+00 -0.178417D+00 -0.272504D+00  0.171836D+01
                86            87            88            89            90 
      1   0.623438D+00 -0.170482D+01  0.107886D+00  0.411110D+01  0.280158D+01
      2  -0.160739D+01  0.365545D+00 -0.350627D+01  0.556339D+00 -0.118170D+02
      3   0.283554D+00  0.116913D+01 -0.666231D+00  0.280695D+01 -0.104040D+00
                91            92            93            94            95 
      1  -0.153408D+01  0.107997D+00  0.266136D+00 -0.143690D+00 -0.134069D+01
      2   0.261137D+00  0.668385D+00  0.762854D+00  0.606315D+00  0.234464D+00
      3   0.234285D-01 -0.158635D+01  0.108981D+01  0.476967D+00  0.462324D+00
                96            97            98            99           100 
      1  -0.446878D+00 -0.392856D+00  0.371489D+01 -0.943007D+01  0.225680D+01
      2  -0.384573D+00 -0.464889D+01  0.861030D-01  0.177025D+01  0.257161D+00
      3  -0.137071D+00  0.247271D+01 -0.816063D+00  0.272737D+00  0.136533D+02
               101           102           103           104           105 
      1  -0.852962D+00 -0.352932D+01 -0.549577D+00  0.440308D+01 -0.398053D+01
      2  -0.141485D+01  0.316654D+01  0.442178D+00  0.402715D+00  0.150192D+01
      3  -0.101457D+02 -0.169273D+01 -0.466310D+00  0.884548D+01  0.108433D+01
               106           107           108           109           110 
      1  -0.226786D+01  0.214360D+01  0.220468D+01 -0.163174D+01 -0.119595D+01
      2  -0.224869D+01  0.107956D+01 -0.571201D+00  0.425803D+01  0.107746D+01
      3  -0.426704D+01  0.149444D+01  0.112323D+01  0.282904D+01  0.628198D+01
               111           112           113           114           115 
      1  -0.226804D+01 -0.248115D+01 -0.310957D+01  0.670317D+00 -0.277426D-01
      2   0.228454D+01  0.146892D+01  0.512014D+01  0.252894D-01 -0.641299D+01
      3  -0.332921D+00  0.153720D+02  0.417297D+01 -0.387543D+01  0.112226D+01
               116           117           118           119           120 
      1   0.213220D+01  0.504995D+01  0.287068D+00  0.431573D+00  0.364106D+00
      2  -0.333285D+01 -0.199833D+02 -0.108946D+01  0.224676D+00  0.195259D+01
      3  -0.485843D+01  0.348169D+01 -0.913201D-01  0.227203D+00 -0.430703D+00
               121           122           123           124           125 
      1   0.218398D+00  0.600721D-01 -0.685528D+00 -0.526754D-01  0.395900D+01
      2  -0.390869D+00 -0.162251D+01  0.265554D+00 -0.357201D+01 -0.159772D-01
      3   0.249051D+01 -0.704035D+00  0.148847D+01 -0.215348D+00  0.285567D+01
               126           127           128           129           130 
      1   0.237863D+01  0.636152D-01  0.136238D+00 -0.193739D+01  0.233125D+00
      2  -0.110590D+02  0.787897D-01 -0.169676D+01  0.490394D+01  0.532896D+00
      3  -0.932034D+00  0.269995D+01 -0.189767D+01  0.820125D+00  0.944455D+01
               131           132           133           134           135 
      1   0.186561D-01 -0.415161D+01  0.765365D-01  0.576155D+01 -0.171890D+02
      2   0.329354D-01  0.898328D-02 -0.129231D-01 -0.845450D+00  0.490871D+01
      3  -0.423889D+01 -0.669485D-01  0.545201D+00 -0.591350D+00  0.192029D+01
               136           137           138           139           140 
      1  -0.199172D+01 -0.185065D+00 -0.473128D+00  0.285674D+00 -0.111565D+01
      2   0.910221D+00  0.207240D+00  0.888747D+00  0.557991D+00  0.652794D+00
      3  -0.707937D-01 -0.168557D+01  0.192586D+01  0.249681D+00  0.344229D+00
               141           142           143           144           145 
      1  -0.925612D+00 -0.150670D+00  0.257934D+01 -0.116866D+02  0.169712D+01
      2  -0.122782D-01 -0.406351D+01  0.814851D+00  0.679254D+01  0.483052D+01
      3  -0.539950D+00  0.336498D+01 -0.508714D+00  0.444700D+00 -0.178644D+02
               146           147           148           149           150 
      1   0.152421D-01  0.248318D+01  0.149691D-01  0.537687D+00 -0.699282D-01
      2  -0.491013D+00  0.446093D+01  0.179444D+00  0.564523D+00 -0.715806D-01
      3  -0.303254D+01 -0.178524D+01 -0.199308D+01 -0.236889D+01 -0.699704D+00
               151           152           153           154           155 
      1   0.187772D+01  0.214967D+00  0.288433D+00  0.932724D+00  0.974174D+00
      2   0.213769D+01 -0.810159D+00  0.769117D+00 -0.920399D+00 -0.731499D+00
      3  -0.383877D+01 -0.116631D+01 -0.128812D+01 -0.445056D+01 -0.552535D+01
               156           157           158           159           160 
      1  -0.105748D+01  0.155569D+01  0.263246D+01 -0.222123D+01 -0.102862D+01
      2   0.191326D+01 -0.900405D+00 -0.214879D+01  0.366007D+01  0.102769D+01
      3  -0.121467D+00 -0.454041D+01 -0.190821D+02  0.110953D+01  0.111996D+00
               161           162           163           164           165 
      1  -0.185620D-01  0.387466D+00 -0.137620D+01  0.120269D+01  0.226563D+01
      2   0.190983D+01  0.104136D-01 -0.318355D+00  0.638026D+00 -0.852821D-01
      3   0.266785D+01 -0.101551D+01 -0.104703D+02  0.747661D+01  0.103368D+01
               166           167           168           169           170 
      1   0.109676D+01 -0.214645D+01 -0.378070D+01  0.637734D+00 -0.164149D+01
      2   0.358689D+00 -0.844113D+00 -0.178108D+00 -0.100953D+01  0.179002D+00
      3   0.849792D+01 -0.109410D+02 -0.557486D+00  0.204681D+01 -0.136919D+01
               171           172           173           174           175 
      1  -0.133165D+00 -0.472931D+00 -0.485391D+00  0.337308D+01  0.432791D+00
      2  -0.219296D+00 -0.447944D+01  0.125389D+01  0.678364D+01 -0.925250D+00
      3  -0.957226D+00  0.191895D+01 -0.187470D+02 -0.258422D+00 -0.105663D+02
               176           177           178           179           180 
      1  -0.241959D+01 -0.329557D+01 -0.882551D-01  0.414461D+01 -0.192628D+01
      2  -0.259485D+01 -0.393043D+00  0.238661D+01 -0.185939D+01 -0.304706D+01
      3  -0.861535D+01  0.274257D+01 -0.231276D-01  0.602343D+01  0.159427D+01
               181           182           183           184           185 
      1  -0.261694D+00 -0.380480D-01 -0.367105D-01  0.295723D+00 -0.227460D+00
      2   0.384177D+01 -0.728272D+00 -0.421813D+00 -0.207093D+00  0.244912D+01
      3  -0.124988D+01 -0.120689D+01  0.701727D+00 -0.876174D+00 -0.826338D+00
               186           187           188           189           190 
      1  -0.163233D+00 -0.102949D+01  0.359300D+01 -0.391209D+01  0.138540D+01
      2  -0.164850D+00 -0.145151D+01  0.356909D+01  0.229604D+02 -0.247991D+01
      3  -0.232789D+01  0.161382D+01 -0.436837D+01 -0.291425D+01 -0.426419D+01
               191           192           193           194           195 
      1   0.800218D+00 -0.129637D+01  0.107783D+01  0.219388D+01 -0.267132D+01
      2  -0.103840D+01  0.287337D+01 -0.108456D+01 -0.334976D+01  0.353740D+01
      3  -0.601218D+01  0.193840D+00 -0.327283D+01 -0.163366D+02  0.251791D+01
               196           197           198           199           200 
      1  -0.859398D+00 -0.115533D+00  0.468293D+00  0.157075D+01 -0.385006D+00
      2   0.164275D+01  0.303274D+01 -0.768336D+00 -0.112014D+01 -0.197277D+00
      3  -0.339976D+00  0.459830D+01 -0.246138D+01 -0.663465D+00  0.511089D+00
               201           202           203           204           205 
      1   0.206042D+01  0.159083D+00  0.291523D+01 -0.257152D+01 -0.348758D+00
      2  -0.683379D+00 -0.553962D+00 -0.110570D+01  0.901071D+00 -0.248421D+01
      3  -0.151155D+01  0.916861D+00 -0.118205D+01  0.668210D+00 -0.374546D+01
               206           207           208           209           210 
      1  -0.576110D+01  0.196598D+02  0.413991D+00  0.713790D+00 -0.644180D+00
      2   0.259849D+01 -0.581223D+01  0.896164D+00 -0.102855D+00 -0.836395D+00
      3   0.203210D+01 -0.253436D+01  0.729824D+01  0.789392D+01 -0.378651D+00
               211           212           213           214           215 
      1   0.529708D+00  0.234665D+01 -0.276186D+01  0.852850D-01 -0.391818D+00
      2   0.788477D+00  0.326980D+00 -0.339098D+01 -0.858342D+00 -0.198284D+01
      3   0.550312D+01  0.235534D+02 -0.950074D+00 -0.135849D+01 -0.317666D+01
               216 
      1   0.280539D+00
      2  -0.680799D-01
      3   0.205793D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.547707D+01 -0.165352D+01  0.477203D+00  0.559343D+01 -0.183267D+01
      2  -0.589292D+01  0.959794D+01 -0.103131D+01  0.155416D+01 -0.484019D+01
      3   0.415854D+00 -0.794442D+01  0.554111D+00 -0.714758D+01  0.667286D+01
      4   0.584266D+01 -0.125613D+02 -0.161702D+01 -0.157181D+02  0.783184D+01
      5   0.333703D+01 -0.173823D+01 -0.209196D+01 -0.346898D+01  0.178083D+01
      6  -0.139131D+01  0.271582D+01  0.250835D+01  0.303733D+01 -0.327890D+01
                 6             7             8             9            10 
      1   0.477773D+00  0.333968D+01  0.501316D+00  0.685970D+01 -0.190869D+02
      2  -0.229086D+00  0.122236D+01 -0.550918D+01  0.520897D+01  0.915439D+01
      3  -0.248687D+00 -0.456205D+01  0.500786D+01 -0.120687D+02  0.993251D+01
      4   0.253301D+01 -0.432002D+01  0.698651D+01  0.100455D+01 -0.693973D+01
      5   0.214820D+01  0.842275D+00  0.192873D+01 -0.198534D+02 -0.688385D+01
      6  -0.423567D+01  0.997815D+00 -0.284585D+00  0.175691D+02 -0.120759D+01
                11            12            13            14            15 
      1  -0.701895D+01 -0.187713D+01 -0.967784D+01  0.736353D+01  0.977415D+00
      2   0.302607D+01  0.408443D+01  0.622174D+01 -0.343566D+01 -0.572585D+00
      3   0.399288D+01 -0.220730D+01  0.345610D+01 -0.392786D+01 -0.404829D+00
      4  -0.222818D+01 -0.828271D+00  0.613686D+01  0.295833D+01 -0.908196D+00
      5  -0.143897D+01 -0.138376D+01 -0.160720D+00 -0.396130D+00 -0.405488D+01
      6  -0.199864D+01  0.478911D+00 -0.651445D+00 -0.838299D+00 -0.492849D+00
                16            17            18            19            20 
      1  -0.116543D+02 -0.215065D+01  0.835580D+01 -0.805997D+01  0.763749D+01
      2   0.565338D+01 -0.511799D+00  0.535994D+01  0.592531D+01 -0.123480D+02
      3   0.600096D+01  0.266245D+01 -0.137157D+02  0.213466D+01  0.471048D+01
      4  -0.123736D+01 -0.134307D+01 -0.153420D+01  0.242886D+01 -0.233148D+01
      5   0.379477D-01 -0.217506D+01  0.278036D+02  0.163181D+01  0.128102D+01
      6   0.739471D-01 -0.500891D+00  0.109458D+02  0.109956D+01  0.162565D+01
                21            22            23            24            25 
      1  -0.938150D+00  0.507686D+01  0.381634D+01 -0.332214D+01 -0.117574D+01
      2  -0.933466D+00 -0.990370D+01 -0.102085D+02  0.942823D+00  0.335512D+01
      3   0.187162D+01  0.482684D+01  0.639219D+01  0.237932D+01 -0.217938D+01
      4   0.114651D+01 -0.518379D+01 -0.938815D+01 -0.114579D+00  0.293491D+01
      5  -0.121863D+01  0.169588D+01  0.125111D+01 -0.765937D+00  0.624931D+00
      6  -0.151705D+01 -0.171582D+00  0.465291D+01 -0.317529D+01 -0.111583D+01
                26            27            28            29            30 
      1  -0.327607D+01  0.528500D+01 -0.113529D+02 -0.960811D+00 -0.404668D+01
      2   0.784091D+01  0.863527D+01  0.453400D+01  0.292100D+00  0.244355D+01
      3  -0.456483D+01 -0.139203D+02  0.681889D+01  0.668711D+00  0.160314D+01
      4   0.276117D+01 -0.128105D+00 -0.555512D+01 -0.602861D+00 -0.187944D+01
      5   0.558151D-01 -0.450110D+01 -0.551164D+01 -0.110686D+01 -0.513948D+01
      6   0.165980D+01 -0.217380D+02 -0.250023D+01  0.104815D-01 -0.252913D+01
                31            32            33            34            35 
      1   0.197529D+00  0.144273D+02  0.513893D-01 -0.386358D+01 -0.171627D+00
      2   0.911301D+00 -0.147430D+02 -0.199738D+01 -0.120685D+00 -0.166032D+01
      3  -0.110883D+01  0.315708D+00  0.194599D+01  0.398426D+01  0.183194D+01
      4  -0.346117D+01  0.380265D+00 -0.202502D+01  0.879077D+00 -0.800038D+00
      5   0.172674D+01 -0.174520D+01 -0.555937D+01 -0.198795D+01  0.707771D+00
      6  -0.335992D-02  0.863469D+00 -0.491368D+01 -0.139811D+01  0.173461D+00
                36            37            38            39            40 
      1   0.577875D+01  0.165296D+02 -0.299358D+01 -0.618309D+00 -0.102079D+01
      2   0.638972D+01 -0.111030D+02  0.263141D+01 -0.160758D+01  0.340682D+00
      3  -0.121685D+02 -0.542657D+01  0.362165D+00  0.222589D+01  0.680109D+00
      4   0.113372D+01 -0.864614D+01  0.102379D+02 -0.148171D+01  0.107580D+02
      5   0.268367D+02  0.208747D+01 -0.865244D-02  0.135578D+02 -0.127669D+01
      6   0.402833D+01 -0.855454D+00  0.192557D+01  0.592202D+01  0.292716D-01
                41            42            43            44            45 
      1  -0.109972D+02  0.300174D+01  0.528918D+01  0.355993D+01 -0.357604D+01
      2   0.156237D+02 -0.589506D+00 -0.528738D+01 -0.386700D+01 -0.319277D+01
      3  -0.462651D+01 -0.241223D+01 -0.179794D-02  0.307068D+00  0.676881D+01
      4  -0.164432D+01  0.106711D+01 -0.392123D+01  0.118448D+01 -0.234619D+01
      5   0.560823D+00  0.534147D+01  0.540966D+01 -0.349839D+00  0.694517D+00
      6  -0.314077D+01  0.883452D+01 -0.719065D+00  0.501849D+01  0.107885D+01
                46            47            48            49            50 
      1  -0.161350D+02  0.841954D+01  0.425881D+01 -0.966279D+00  0.639327D+01
      2   0.147736D+02 -0.945840D+01 -0.835409D+00 -0.347716D+01 -0.180112D+02
      3   0.136141D+01  0.103886D+01 -0.342340D+01  0.444344D+01  0.116179D+02
      4   0.532422D+01 -0.491458D+01  0.703938D+00 -0.957146D+01 -0.972908D+01
      5   0.550468D-01 -0.872538D-01 -0.957546D+01  0.136744D+01  0.765628D+00
      6   0.161706D+00 -0.241980D+01 -0.517763D+01  0.892704D+00  0.196687D+01
                51            52            53            54            55 
      1  -0.661034D+00  0.140852D+01 -0.419298D+00  0.671405D+01 -0.215370D+02
      2   0.104870D+01  0.898954D+00  0.747097D+01  0.797894D+01  0.164244D+02
      3  -0.387667D+00 -0.230747D+01 -0.705168D+01 -0.146930D+02  0.511265D+01
      4   0.161830D+01  0.277092D+01  0.270416D+00  0.581391D+00  0.481982D+01
      5   0.435305D+00 -0.192336D+01 -0.120360D+01 -0.146939D+02 -0.687084D+01
      6  -0.231442D+01 -0.753509D+00 -0.892987D+00 -0.288674D+02  0.698327D+01
                56            57            58            59            60 
      1  -0.835147D+00 -0.513083D+01 -0.654429D+01 -0.885031D+01 -0.359601D+01
      2  -0.459043D+01  0.366389D+01 -0.343446D+01  0.253276D+02  0.246146D+01
      3   0.542558D+01  0.146693D+01  0.997875D+01 -0.164773D+02  0.113455D+01
      4   0.164330D+02  0.508049D+01  0.250898D+02 -0.309512D+02 -0.501618D+01
      5   0.192952D+01  0.470929D+01  0.244864D+01 -0.509089D+01 -0.464980D+01
      6  -0.195186D+01 -0.910190D+00 -0.270048D+01  0.701852D+01  0.100058D+02
                61            62            63            64            65 
      1  -0.954730D+01 -0.231740D+01 -0.469568D+01 -0.399356D+00 -0.398685D+00
      2   0.333741D+01  0.676410D+01  0.118785D+01 -0.211349D+01 -0.588568D+00
      3   0.620988D+01 -0.444670D+01  0.350782D+01  0.251285D+01  0.987253D+00
      4   0.130585D+02 -0.114699D+02 -0.597862D+01 -0.445483D+00  0.337009D+01
      5   0.631714D+01 -0.680549D+01 -0.462196D+01  0.277802D+01 -0.647991D+00
      6  -0.369789D+01  0.104851D+02  0.460757D+01 -0.207360D+01 -0.341365D+00
                66            67            68            69            70 
      1   0.271710D+01 -0.272247D+00 -0.256882D+01  0.190217D+01  0.329001D+01
      2  -0.138594D+01 -0.688639D+00  0.662013D+00 -0.259534D+01 -0.229345D+01
      3  -0.133116D+01  0.960886D+00  0.190681D+01  0.693170D+00 -0.996563D+00
      4  -0.218645D+01  0.318565D+01 -0.109347D+01  0.251329D+01 -0.381388D+01
      5   0.602527D+01  0.598805D-01  0.229804D+01  0.247400D-01  0.485816D+01
      6   0.761224D+00  0.418144D+00 -0.315895D+01  0.665086D+01 -0.116959D+01
                71            72            73            74            75 
      1   0.291672D+01 -0.144216D+02  0.531341D+02  0.282326D+00  0.459162D+01
      2  -0.268000D+01 -0.132114D+02 -0.332059D+02 -0.174092D+01 -0.550563D+01
      3  -0.236718D+00  0.276330D+02 -0.199282D+02  0.145859D+01  0.914011D+00
      4   0.431588D+01 -0.133572D+01  0.382202D+01  0.226727D+01  0.204742D+01
      5  -0.170917D+01  0.188719D+02  0.977656D+01  0.184064D+01  0.103083D+02
      6   0.526032D+01 -0.177085D+02  0.140451D+01  0.110206D+01  0.139806D+00
                76            77            78            79            80 
      1  -0.127736D+02 -0.464177D+01 -0.131392D+01  0.158398D+02  0.228249D+01
      2   0.433481D+01 -0.158932D+01  0.177213D+01 -0.100545D+02  0.493844D+00
      3   0.843879D+01  0.623109D+01 -0.458209D+00 -0.578532D+01 -0.277634D+01
      4  -0.820980D+01 -0.261392D+02  0.433164D+01  0.573772D+01  0.784558D+01
      5   0.232819D-01  0.527349D+01 -0.332931D+01  0.138573D+02  0.558146D+00
      6  -0.848567D-01  0.635637D+00  0.270005D+01  0.188772D+01  0.306419D+01
                81            82            83            84            85 
      1   0.491810D+01  0.224478D+01  0.125323D+01 -0.440061D+01  0.134225D+01
      2  -0.793145D+01 -0.373038D+01 -0.793874D+00  0.223348D+01 -0.774810D+00
      3   0.301335D+01  0.148560D+01 -0.459359D+00  0.216713D+01 -0.567438D+00
      4   0.613978D+00  0.104884D+01  0.743675D+00 -0.700315D+00  0.121490D+01
      5   0.548051D+01 -0.376347D+01 -0.226928D+00  0.535272D+01 -0.101777D-01
      6   0.132505D+01 -0.715939D+00  0.265065D+00 -0.730949D+00 -0.824938D+00
                86            87            88            89            90 
      1  -0.426551D+01  0.152333D+01 -0.592227D+01  0.124426D+01 -0.146340D+02
      2   0.899175D+00 -0.105719D+01  0.463703D+01 -0.814872D+00 -0.141554D+02
      3   0.336634D+01 -0.466140D+00  0.128524D+01 -0.429385D+00  0.287893D+02
      4   0.781779D-01 -0.355233D+01 -0.223355D+01 -0.493008D+01  0.119188D+01
      5  -0.375090D+01  0.105534D+01  0.594520D+01  0.196223D+01 -0.268691D+02
      6  -0.176968D+01  0.794016D+01  0.454011D+00  0.511131D+01 -0.824489D+01
                91            92            93            94            95 
      1   0.148144D+01 -0.113754D+01  0.862922D+00 -0.161751D+01 -0.330362D+01
      2  -0.415415D+01  0.152536D+01 -0.233521D+00  0.187780D+01  0.121350D+01
      3   0.267272D+01 -0.387826D+00 -0.629401D+00 -0.260282D+00  0.209012D+01
      4  -0.533736D+00  0.162579D+01  0.225031D+01  0.182803D+01  0.102151D+01
      5   0.854693D+00  0.474553D+00  0.615758D+01 -0.104211D-01  0.617092D+00
      6   0.281181D+01  0.967955D-03 -0.340664D+00  0.300386D+00  0.287133D+01
                96            97            98            99           100 
      1  -0.178239D+01  0.760348D+00 -0.429802D+01 -0.153064D+02  0.994953D+01
      2   0.349579D+01 -0.122821D+01  0.529891D+01 -0.145545D+02 -0.492562D+01
      3  -0.171340D+01  0.467859D+00 -0.100090D+01  0.298609D+02 -0.502391D+01
      4   0.848347D+00  0.340163D+01  0.136617D+01  0.297261D+00  0.176908D+02
      5  -0.327059D+00  0.445853D+01  0.156593D+00  0.503045D+01 -0.189678D+01
      6   0.581408D+01  0.956303D+00  0.519127D+01  0.213268D+02 -0.436344D+01
               101           102           103           104           105 
      1  -0.190245D+02  0.466584D+00 -0.115544D+02 -0.528302D+01  0.479921D+01
      2   0.330271D+02  0.116877D+01  0.214664D+02  0.128115D+02 -0.370579D+01
      3  -0.140026D+02 -0.163535D+01 -0.991195D+01 -0.752853D+01 -0.109342D+01
      4   0.113781D+02 -0.359868D+01  0.116613D+02  0.239956D+02 -0.971647D+00
      5  -0.681388D+00  0.616576D+01 -0.742619D+00 -0.271868D+01  0.201900D+01
      6  -0.127696D+01  0.546585D+01  0.475032D-01 -0.692609D+01  0.783763D+01
               106           107           108           109           110 
      1  -0.509555D+00  0.910056D+01 -0.458341D+01  0.553259D+01  0.320033D+01
      2  -0.359063D+00 -0.134721D+02  0.151800D+01 -0.579156D+01 -0.213196D+01
      3   0.868618D+00  0.437155D+01  0.306541D+01  0.258971D+00 -0.106837D+01
      4  -0.567825D+01 -0.406035D+01  0.455347D+01  0.696436D+01 -0.168323D+02
      5   0.476995D+01  0.268633D+01 -0.111286D+01  0.130836D+02  0.168514D+01
      6   0.546046D+01  0.103695D+02 -0.463330D+01  0.312514D+01  0.216796D+01
               111           112           113           114           115 
      1   0.605154D+01  0.114420D+02 -0.207571D+02  0.196392D+01  0.142276D+02
      2  -0.592680D+01 -0.898718D+01  0.524486D+01  0.346852D+01 -0.418547D+01
      3  -0.124742D+00 -0.245481D+01  0.155122D+02 -0.543245D+01 -0.100421D+02
      4   0.289949D+01 -0.283245D+02 -0.146376D+02  0.718561D+01 -0.238966D+01
      5   0.930246D+00 -0.923956D+00  0.800644D+01  0.122833D+01 -0.408147D+01
      6   0.444171D+01  0.787974D+00  0.139106D+01 -0.328562D+01 -0.645172D+00
               116           117           118           119           120 
      1   0.590731D+00  0.829972D+01  0.370137D+01  0.866055D+00 -0.254351D+01
      2   0.178828D+01  0.103340D+02 -0.477962D+01 -0.739394D+00  0.153213D+01
      3  -0.237901D+01 -0.186337D+02  0.107825D+01 -0.126660D+00  0.101138D+01
      4   0.970674D+01 -0.885301D+01  0.549093D+00  0.136385D+01  0.379516D+00
      5  -0.711201D+01 -0.385494D+02 -0.308225D+01  0.285816D+00  0.781144D+01
      6  -0.674946D+00 -0.323805D+01 -0.212842D+00 -0.842252D-01 -0.460668D+00
               121           122           123           124           125 
      1   0.111761D+01 -0.443731D+01 -0.672150D+00 -0.495979D+01  0.897657D+00
      2  -0.949673D+00  0.146390D+01  0.160066D+00  0.591357D+01 -0.114728D+00
      3  -0.167935D+00  0.297341D+01  0.512085D+00 -0.953778D+00 -0.782928D+00
      4   0.164150D+01  0.317669D+00 -0.217559D+01 -0.302505D+00 -0.293130D+01
      5  -0.680077D+00 -0.306666D+01  0.102134D+01  0.709439D+01  0.602679D+00
      6  -0.691878D+00 -0.336896D+00  0.688080D+01  0.758552D+00  0.428591D+01
               126           127           128           129           130 
      1  -0.144515D+02  0.551293D+01 -0.387000D+01  0.116277D+01 -0.114596D+01
      2  -0.143819D+02  0.275492D+01  0.912440D+01 -0.628668D+00  0.724607D+01
      3   0.288334D+02 -0.826785D+01 -0.525440D+01 -0.534106D+00 -0.610011D+01
      4   0.159008D+00  0.683380D+01  0.147625D+02 -0.314253D+00  0.168307D+02
      5  -0.219872D+02 -0.113768D+01 -0.958449D+00  0.563545D+01 -0.106573D+01
      6  -0.248884D+01 -0.635850D+00 -0.190423D+01  0.386556D+01 -0.331872D+00
               131           132           133           134           135 
      1  -0.302877D+02 -0.617090D+00 -0.871433D-01 -0.667302D+01  0.600117D+01
      2   0.571246D+02  0.119657D+01  0.628444D+00  0.570222D+01 -0.644501D+00
      3  -0.268369D+02 -0.579475D+00 -0.541300D+00  0.970807D+00 -0.535667D+01
      4   0.215130D+02 -0.200476D+00  0.124434D+01  0.179870D+01  0.962434D+00
      5  -0.302503D-01  0.205742D+00  0.371743D+01 -0.558459D+00  0.841620D+01
      6  -0.406438D+00  0.588220D+01  0.214847D+01 -0.243251D+00  0.291080D+02
               136           137           138           139           140 
      1   0.483973D+00 -0.703551D+00  0.132432D+01 -0.119861D+01 -0.511413D+01
      2  -0.305983D+01  0.766934D+00 -0.319901D+00  0.143909D+01  0.379231D+01
      3   0.257586D+01 -0.633835D-01 -0.100442D+01 -0.240481D+00  0.132182D+01
      4  -0.184069D+00  0.291859D+01  0.325248D+01  0.227031D+01  0.181635D+01
      5   0.168045D+01  0.105253D+01  0.711832D+01  0.848770D-01  0.112477D+01
      6   0.400262D+01  0.213327D+00  0.828513D+00  0.133665D+00  0.392430D+01
               141           142           143           144           145 
      1  -0.196864D+01  0.713962D+00 -0.673110D+01 -0.175590D+02  0.434440D+02
      2   0.350887D+01 -0.693748D+00  0.461453D+01 -0.109807D+02 -0.203782D+02
      3  -0.154023D+01 -0.202137D-01  0.211657D+01  0.285397D+02 -0.230657D+02
      4   0.931689D+00  0.445795D+01  0.325918D+01  0.123093D+01 -0.318018D+02
      5  -0.198104D+00  0.508041D+01  0.220858D+01  0.108764D+02  0.183641D+01
      6   0.695927D+01  0.167147D+01  0.933755D+01  0.267710D+02 -0.332940D+01
               146           147           148           149           150 
      1  -0.406818D+01  0.401542D+01  0.254577D+01  0.214196D+01  0.661991D+00
      2  -0.259931D+01 -0.153706D+01 -0.363690D+01  0.572814D+00 -0.811226D+00
      3   0.666749D+01 -0.247836D+01  0.109113D+01 -0.271478D+01  0.149235D+00
      4   0.124551D+02 -0.197013D+01  0.423340D+01 -0.234909D+01  0.991609D+00
      5   0.119088D+00  0.613010D+01  0.143044D-01  0.101314D+01 -0.393506D+00
      6  -0.350140D+00 -0.451146D+01 -0.958636D-01 -0.791664D+00  0.293033D+00
               151           152           153           154           155 
      1   0.733093D+01 -0.361352D-01  0.342350D+01  0.144831D+02  0.951956D+01
      2  -0.366727D+01 -0.124801D+01 -0.286095D+01 -0.432056D+01 -0.171161D+01
      3  -0.366366D+01  0.128414D+01 -0.562555D+00 -0.101625D+02 -0.780794D+01
      4  -0.591748D+01  0.258120D+01 -0.379374D+01  0.141310D+02  0.156337D+02
      5   0.693778D+01 -0.157877D+01  0.132649D+01 -0.642184D+00 -0.121821D+00
      6  -0.380760D+01  0.225735D+01 -0.509291D+00  0.992012D-01  0.653155D+00
               156           157           158           159           160 
      1  -0.110981D+01  0.192859D+02  0.935650D+01  0.245092D+00 -0.344735D+01
      2   0.302550D+00 -0.512523D+01  0.611657D+01 -0.133718D+01  0.148119D+01
      3   0.807257D+00 -0.141607D+02 -0.154731D+02  0.109209D+01  0.196616D+01
      4  -0.518770D+00  0.249320D+02  0.349778D+02 -0.132298D+01 -0.300761D+01
      5   0.344421D+01  0.550245D+00 -0.168547D+01  0.596731D+01  0.548276D+01
      6   0.134435D+01  0.107976D+01  0.108782D+01  0.272003D+01  0.225539D+01
               161           162           163           164           165 
      1  -0.117865D+01  0.165495D+01 -0.550366D+01  0.149999D+02 -0.100615D+00
      2  -0.548970D+00 -0.138078D+01  0.930890D+01 -0.239502D+02 -0.550717D+00
      3   0.172762D+01 -0.274175D+00 -0.380524D+01  0.895033D+01  0.651333D+00
      4  -0.411813D+01  0.437580D+01 -0.822840D+01  0.699789D+01  0.100746D+01
      5   0.418646D+01 -0.189468D-01  0.480606D+00 -0.658327D+00 -0.585805D+00
      6   0.338137D+01 -0.492188D+00  0.124751D+01  0.291831D-01 -0.306126D+01
               166           167           168           169           170 
      1   0.775608D+01 -0.258221D+02 -0.583197D+00  0.849996D+00 -0.339324D+01
      2  -0.117075D+02  0.434965D+02  0.165433D+01 -0.130459D+01  0.516029D+01
      3   0.395144D+01 -0.176744D+02 -0.107114D+01  0.454595D+00 -0.176705D+01
      4   0.796747D+01 -0.583868D+01 -0.254330D+00  0.140180D+01 -0.488893D+00
      5  -0.520844D+00  0.856509D+00  0.382909D+00  0.119760D+01  0.582319D-01
      6  -0.493215D+00  0.901494D+00  0.578736D+01 -0.157962D+01  0.679836D+01
               171           172           173           174           175 
      1  -0.411313D+01  0.607212D+02 -0.914504D+01 -0.709782D+01 -0.965545D+01
      2   0.394703D+01 -0.319458D+02 -0.151382D+01  0.651271D+01  0.106809D+01
      3   0.166096D+00 -0.287754D+02  0.106589D+02  0.585113D+00  0.858736D+01
      4  -0.869429D+00 -0.234243D+02  0.284531D+02  0.122240D+01  0.295628D+02
      5  -0.445847D+00 -0.104380D+02  0.558429D+00  0.133289D+02  0.115231D+01
      6   0.263820D+00  0.931068D+00 -0.650736D+00 -0.437731D+01 -0.498614D+00
               176           177           178           179           180 
      1   0.258914D+02 -0.362475D+01 -0.154397D+02  0.109888D+01  0.724765D+01
      2  -0.157008D+02  0.706275D+00  0.862479D+01  0.149847D+01 -0.976229D+01
      3  -0.101906D+02  0.291848D+01  0.681487D+01 -0.259735D+01  0.251464D+01
      4   0.284961D+01 -0.494472D+01  0.682037D+01 -0.101887D+02 -0.495149D+01
      5  -0.629021D+01 -0.229777D+00  0.177089D+02 -0.527339D+01 -0.644315D+01
      6   0.248243D+01  0.695732D+01 -0.367206D+01  0.470422D+01  0.347445D+01
               181           182           183           184           185 
      1  -0.121068D+01  0.143681D+01  0.741525D+01 -0.179113D+01  0.271746D+00
      2  -0.185371D+01 -0.480610D+00 -0.338208D+01  0.163260D+01 -0.128851D+01
      3   0.306439D+01 -0.956197D+00 -0.403317D+01  0.158531D+00  0.101676D+01
      4   0.133721D+01  0.308651D+01 -0.106854D+00  0.533721D+01  0.265600D+01
      5   0.610079D+01 -0.129985D+00  0.420102D+01 -0.163360D+00  0.477084D+01
      6  -0.957968D-01 -0.586214D+00 -0.248539D+00  0.647686D+00  0.778829D+00
               186           187           188           189           190 
      1  -0.104342D+01  0.108288D+02 -0.397939D+01 -0.126346D+02  0.180473D+02
      2   0.456606D+00 -0.900204D+01  0.482805D-01 -0.174337D+02 -0.634036D+01
      3   0.586812D+00 -0.182672D+01  0.393111D+01  0.300683D+02 -0.117069D+02
      4   0.480926D+01  0.179005D+00  0.783425D+01  0.787741D+01  0.160248D+02
      5  -0.729059D+00  0.127500D+02  0.625092D+01  0.458585D+02 -0.419262D+01
      6   0.554792D+01  0.924938D+00  0.548515D+01  0.426344D+01 -0.100624D+01
               191           192           193           194           195 
      1   0.114489D+02 -0.417156D+01  0.170176D+02  0.829440D+01 -0.493984D+00
      2  -0.342403D+01  0.133012D+01 -0.547922D+01  0.592687D+01 -0.131615D+01
      3  -0.802487D+01  0.284144D+01 -0.115384D+02 -0.142213D+02  0.181014D+01
      4   0.175211D+02 -0.189505D+01  0.218579D+02  0.347233D+02 -0.508406D+01
      5  -0.134907D+01  0.510184D+01 -0.125907D+01 -0.471962D+01  0.610573D+01
      6  -0.342134D+00  0.154442D+01 -0.293854D+00 -0.155158D+01  0.341258D+01
               196           197           198           199           200 
      1  -0.860955D+01 -0.140707D+01  0.179372D+01 -0.130711D+01  0.249079D+01
      2   0.391718D+01 -0.492631D+00 -0.236905D+01  0.800105D+00 -0.232693D+01
      3   0.469237D+01  0.189971D+01  0.575329D+00  0.507004D+00 -0.163866D+00
      4  -0.368101D+01 -0.902869D+01  0.657376D+01  0.572921D+00  0.306358D+01
      5   0.672566D+01  0.670133D+01 -0.163783D+01 -0.495776D+00 -0.944287D+00
      6   0.205776D+01  0.379294D+01 -0.191627D+01 -0.289136D+01  0.151485D+01
               201           202           203           204           205 
      1  -0.235521D+01  0.739144D+00 -0.518229D+01  0.277480D+01 -0.181929D+01
      2   0.121807D+01 -0.512000D+00  0.728511D+01 -0.509379D+01  0.849622D-01
      3   0.113715D+01 -0.227144D+00 -0.210282D+01  0.231898D+01  0.173433D+01
      4  -0.302038D+01  0.225481D+01  0.113644D+01 -0.118511D+01 -0.611904D+01
      5   0.118523D+01 -0.335788D+00 -0.109988D+01  0.131771D+01  0.236566D+01
      6  -0.370747D+01 -0.261609D+00 -0.559454D+01  0.629162D+01  0.319267D+00
               206           207           208           209           210 
      1   0.120298D+02 -0.153702D+02 -0.916887D+01 -0.782425D+01  0.147084D+01
      2  -0.131375D+02  0.455044D+01  0.642892D+01  0.744616D+01 -0.823668D+00
      3   0.110766D+01  0.108197D+02  0.273995D+01  0.378092D+00 -0.647170D+00
      4  -0.488062D+01  0.252126D+01 -0.190800D+00 -0.799351D+01 -0.220071D+00
      5   0.402839D+01 -0.992252D+01  0.153069D+01  0.524096D+00 -0.181274D+01
      6   0.169926D+02 -0.347967D+02 -0.587345D+00 -0.317795D+00  0.271629D+00
               211           212           213           214           215 
      1  -0.148566D+02 -0.145112D+02  0.153149D+01  0.294470D+01  0.204089D+01
      2   0.850491D+01  0.220528D+02 -0.203008D+01 -0.177009D+01 -0.239211D+01
      3   0.635166D+01 -0.754157D+01  0.498593D+00 -0.117461D+01  0.351226D+00
      4   0.394216D+01 -0.330443D+02  0.124346D+01 -0.264607D+00  0.432953D+01
      5   0.149486D+01  0.227519D+01 -0.701634D+01  0.204722D+01 -0.388558D+01
      6   0.472549D-01 -0.112822D+01  0.325810D+01  0.331838D-01  0.407529D+01
               216 
      1  -0.189051D+01
      2   0.845280D+00
      3   0.104523D+01
      4  -0.328635D+01
      5  -0.220137D+00
      6  -0.476148D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 23:49:09 2021, MaxMem=  5368709120 cpu:           47384.0 elap:            5926.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.30867 -19.30625 -19.29943 -19.29447 -19.28717
 Alpha  occ. eigenvalues --  -19.27268 -10.41755 -10.36697 -10.36513 -10.36383
 Alpha  occ. eigenvalues --  -10.36341 -10.34500  -1.20899  -1.16683  -1.15636
 Alpha  occ. eigenvalues --   -1.14160  -1.13482  -1.12462  -0.90655  -0.88670
 Alpha  occ. eigenvalues --   -0.79928  -0.76245  -0.73036  -0.70814  -0.66471
 Alpha  occ. eigenvalues --   -0.65335  -0.62548  -0.60888  -0.59734  -0.59302
 Alpha  occ. eigenvalues --   -0.57217  -0.55190  -0.54652  -0.52086  -0.51420
 Alpha  occ. eigenvalues --   -0.49396  -0.48439  -0.47922  -0.46487  -0.45310
 Alpha  occ. eigenvalues --   -0.44584  -0.42240  -0.41529  -0.39843  -0.38561
 Alpha  occ. eigenvalues --   -0.37481  -0.36553  -0.36134
 Alpha virt. eigenvalues --    0.02895   0.03755   0.04304   0.04699   0.06171
 Alpha virt. eigenvalues --    0.06276   0.06532   0.06896   0.07070   0.08442
 Alpha virt. eigenvalues --    0.09122   0.09606   0.11124   0.11390   0.12208
 Alpha virt. eigenvalues --    0.12414   0.12856   0.13569   0.14229   0.14553
 Alpha virt. eigenvalues --    0.15035   0.15196   0.15863   0.16529   0.16743
 Alpha virt. eigenvalues --    0.17152   0.17345   0.17736   0.18257   0.18490
 Alpha virt. eigenvalues --    0.19114   0.19335   0.19501   0.21075   0.21577
 Alpha virt. eigenvalues --    0.21722   0.22379   0.22935   0.23436   0.23894
 Alpha virt. eigenvalues --    0.25026   0.25478   0.25672   0.26384   0.27057
 Alpha virt. eigenvalues --    0.27291   0.27514   0.28227   0.28544   0.29323
 Alpha virt. eigenvalues --    0.29808   0.30023   0.30125   0.31248   0.31791
 Alpha virt. eigenvalues --    0.32049   0.32709   0.32943   0.33367   0.33575
 Alpha virt. eigenvalues --    0.33934   0.34215   0.34812   0.35469   0.35736
 Alpha virt. eigenvalues --    0.35941   0.36131   0.37195   0.37357   0.37879
 Alpha virt. eigenvalues --    0.38102   0.38560   0.38964   0.39921   0.40778
 Alpha virt. eigenvalues --    0.41747   0.42146   0.42437   0.43785   0.44206
 Alpha virt. eigenvalues --    0.44841   0.45068   0.45985   0.46096   0.46229
 Alpha virt. eigenvalues --    0.47543   0.48105   0.48571   0.48895   0.49369
 Alpha virt. eigenvalues --    0.50763   0.51048   0.51901   0.52642   0.53393
 Alpha virt. eigenvalues --    0.53741   0.55968   0.56152   0.56982   0.57787
 Alpha virt. eigenvalues --    0.58037   0.58625   0.59226   0.59807   0.61201
 Alpha virt. eigenvalues --    0.61380   0.62151   0.62585   0.63597   0.64410
 Alpha virt. eigenvalues --    0.65788   0.66183   0.66610   0.67842   0.68224
 Alpha virt. eigenvalues --    0.68575   0.69266   0.69787   0.70623   0.71156
 Alpha virt. eigenvalues --    0.71874   0.73024   0.73566   0.74058   0.74649
 Alpha virt. eigenvalues --    0.75163   0.75702   0.76494   0.77367   0.78545
 Alpha virt. eigenvalues --    0.79080   0.79696   0.80177   0.81110   0.82275
 Alpha virt. eigenvalues --    0.83285   0.83752   0.84480   0.85371   0.86055
 Alpha virt. eigenvalues --    0.86546   0.87386   0.88332   0.88878   0.89732
 Alpha virt. eigenvalues --    0.90490   0.91496   0.92823   0.93702   0.95039
 Alpha virt. eigenvalues --    0.95332   0.95832   0.97528   0.97994   0.99451
 Alpha virt. eigenvalues --    1.00870   1.01095   1.02472   1.02863   1.03125
 Alpha virt. eigenvalues --    1.05191   1.07480   1.08941   1.10746   1.11855
 Alpha virt. eigenvalues --    1.12457   1.13549   1.14502   1.15270   1.15672
 Alpha virt. eigenvalues --    1.16472   1.18244   1.19654   1.20152   1.20555
 Alpha virt. eigenvalues --    1.21692   1.22582   1.23693   1.24884   1.26621
 Alpha virt. eigenvalues --    1.26851   1.28223   1.30674   1.31708   1.33002
 Alpha virt. eigenvalues --    1.33722   1.34882   1.36774   1.37440   1.38618
 Alpha virt. eigenvalues --    1.40223   1.42511   1.43633   1.45115   1.48550
 Alpha virt. eigenvalues --    1.49144   1.49701   1.51208   1.51475   1.52538
 Alpha virt. eigenvalues --    1.54949   1.55376   1.57127   1.58041   1.60181
 Alpha virt. eigenvalues --    1.61394   1.62419   1.64194   1.65466   1.66472
 Alpha virt. eigenvalues --    1.69144   1.69669   1.70606   1.71946   1.73546
 Alpha virt. eigenvalues --    1.73840   1.75944   1.76353   1.78546   1.80408
 Alpha virt. eigenvalues --    1.81629   1.82611   1.85385   1.86856   1.88468
 Alpha virt. eigenvalues --    1.88844   1.90394   1.90787   1.92253   1.92598
 Alpha virt. eigenvalues --    1.93651   1.95665   1.96621   1.99404   1.99722
 Alpha virt. eigenvalues --    2.00726   2.01056   2.01867   2.03534   2.04748
 Alpha virt. eigenvalues --    2.06325   2.08441   2.08611   2.10504   2.11252
 Alpha virt. eigenvalues --    2.12754   2.13397   2.15516   2.17339   2.17982
 Alpha virt. eigenvalues --    2.19690   2.20547   2.21263   2.23264   2.24859
 Alpha virt. eigenvalues --    2.25860   2.27851   2.29461   2.29969   2.32140
 Alpha virt. eigenvalues --    2.32847   2.34460   2.36970   2.37523   2.38906
 Alpha virt. eigenvalues --    2.40576   2.42641   2.44879   2.47321   2.48757
 Alpha virt. eigenvalues --    2.49931   2.51997   2.53454   2.54789   2.57032
 Alpha virt. eigenvalues --    2.58122   2.61194   2.62477   2.63270   2.66394
 Alpha virt. eigenvalues --    2.67094   2.67874   2.70017   2.73137   2.74163
 Alpha virt. eigenvalues --    2.76501   2.77587   2.80728   2.81960   2.85731
 Alpha virt. eigenvalues --    2.86560   2.88061   2.90071   2.94037   2.95061
 Alpha virt. eigenvalues --    3.08250   3.12084   3.15454   3.20059   3.25026
 Alpha virt. eigenvalues --    3.29007   3.35808   3.41305   3.47614   3.48443
 Alpha virt. eigenvalues --    3.50062   3.50834   3.52460   3.52962   3.53941
 Alpha virt. eigenvalues --    3.54377   3.56201   3.56511   3.57088   3.57801
 Alpha virt. eigenvalues --    3.58511   3.59809   3.61832   3.62041   3.63626
 Alpha virt. eigenvalues --    3.64873   3.66661   3.69788   3.73250   3.75807
 Alpha virt. eigenvalues --    3.81804   3.86068   3.93585   3.94866   4.02952
 Alpha virt. eigenvalues --    4.06986   4.09769   4.11638   4.15627   4.20450
 Alpha virt. eigenvalues --    4.37216
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    7.977232  -0.918631  -0.677923  -0.107336  -0.021869   0.116882
     2  C   -0.918631   7.677048  -0.758856   0.164684   0.240571  -0.817486
     3  C   -0.677923  -0.758856   8.924724  -2.234011   0.233784   0.401260
     4  C   -0.107336   0.164684  -2.234011   9.129068  -0.700656  -0.646211
     5  O   -0.021869   0.240571   0.233784  -0.700656   9.209150   0.051473
     6  C    0.116882  -0.817486   0.401260  -0.646211   0.051473   6.016271
     7  O   -0.437732   0.186356   0.054499   0.103347  -0.002028  -0.028837
     8  H   -0.691553   0.436992  -0.293184   0.073854   0.000128  -0.230668
     9  O    0.132517  -0.467461   0.088809  -0.018854  -0.014903   0.145469
    10  H   -0.330606  -0.536982   0.042427  -0.040788  -0.032785   0.265560
    11  H    0.081502   0.017512  -0.597623   0.055015  -0.013881  -0.070977
    12  O    0.162296  -0.008557  -0.435029   0.096308   0.003573   0.005520
    13  C   -0.273986   0.166272  -0.117713  -0.015813   0.019364  -0.162329
    14  H   -0.088565   0.121879   0.379907  -1.031265  -0.031434   0.020151
    15  O   -0.017694   0.033480  -0.008911   0.002176  -0.068271   0.121461
    16  H   -0.016105  -0.186345   0.132209   0.067042  -0.067081  -0.278130
    17  H    0.088014  -0.097680   0.023481  -0.012339  -0.001831   0.016835
    18  H   -0.015820   0.098107  -0.015850   0.011634   0.002161  -0.095342
    19  H   -0.046173  -0.003387   0.050336  -0.024233   0.001816   0.002483
    20  O   -0.015225  -0.007249  -0.105736   0.325218  -0.072688  -0.011334
    21  H    0.010127   0.001119  -0.192302   0.025925  -0.067093   0.002980
    22  H    0.060879   0.007787   0.145058  -0.173923   0.151788   0.023820
    23  H    0.026534  -0.078983   0.009688   0.017358  -0.015700  -0.081665
    24  H    0.001171  -0.002177   0.023622  -0.038693   0.050946  -0.002342
               7          8          9         10         11         12
     1  C   -0.437732  -0.691553   0.132517  -0.330606   0.081502   0.162296
     2  C    0.186356   0.436992  -0.467461  -0.536982   0.017512  -0.008557
     3  C    0.054499  -0.293184   0.088809   0.042427  -0.597623  -0.435029
     4  C    0.103347   0.073854  -0.018854  -0.040788   0.055015   0.096308
     5  O   -0.002028   0.000128  -0.014903  -0.032785  -0.013881   0.003573
     6  C   -0.028837  -0.230668   0.145469   0.265560  -0.070977   0.005520
     7  O    8.578196  -0.094112  -0.015409   0.028538  -0.018934  -0.017389
     8  H   -0.094112   2.058845  -0.043590   0.086394   0.082774   0.035085
     9  O   -0.015409  -0.043590   8.572584  -0.082436  -0.002415  -0.002479
    10  H    0.028538   0.086394  -0.082436   1.942812   0.036943   0.006760
    11  H   -0.018934   0.082774  -0.002415   0.036943   1.867634  -0.062112
    12  O   -0.017389   0.035085  -0.002479   0.006760  -0.062112   8.534446
    13  C   -0.001284   0.068072  -0.002965   0.029429  -0.040244   0.023334
    14  H   -0.004333  -0.004125  -0.012287  -0.001596   0.088529  -0.028928
    15  O   -0.000180  -0.001301   0.005201  -0.019835   0.002034   0.000287
    16  H   -0.000186   0.002741   0.019158   0.096662  -0.004203  -0.006406
    17  H    0.318937  -0.085765   0.016991  -0.014214   0.000726   0.002845
    18  H    0.004333   0.008216   0.309213  -0.054654  -0.001559   0.000003
    19  H    0.019097  -0.006245  -0.000074   0.000976  -0.044572   0.331053
    20  O    0.000639  -0.002833   0.000198  -0.001262  -0.002237   0.006922
    21  H   -0.001227   0.001228  -0.000858   0.005116   0.003603   0.009869
    22  H   -0.001695   0.010648  -0.000009   0.003098  -0.011284  -0.009503
    23  H   -0.001333  -0.001049   0.006844   0.009616  -0.000956  -0.000299
    24  H    0.000326   0.000661   0.000312   0.000776   0.000434  -0.000816
              13         14         15         16         17         18
     1  C   -0.273986  -0.088565  -0.017694  -0.016105   0.088014  -0.015820
     2  C    0.166272   0.121879   0.033480  -0.186345  -0.097680   0.098107
     3  C   -0.117713   0.379907  -0.008911   0.132209   0.023481  -0.015850
     4  C   -0.015813  -1.031265   0.002176   0.067042  -0.012339   0.011634
     5  O    0.019364  -0.031434  -0.068271  -0.067081  -0.001831   0.002161
     6  C   -0.162329   0.020151   0.121461  -0.278130   0.016835  -0.095342
     7  O   -0.001284  -0.004333  -0.000180  -0.000186   0.318937   0.004333
     8  H    0.068072  -0.004125  -0.001301   0.002741  -0.085765   0.008216
     9  O   -0.002965  -0.012287   0.005201   0.019158   0.016991   0.309213
    10  H    0.029429  -0.001596  -0.019835   0.096662  -0.014214  -0.054654
    11  H   -0.040244   0.088529   0.002034  -0.004203   0.000726  -0.001559
    12  O    0.023334  -0.028928   0.000287  -0.006406   0.002845   0.000003
    13  C    5.158624  -0.152388  -0.005170   0.028611  -0.004045   0.001440
    14  H   -0.152388   2.394407  -0.004761  -0.029670  -0.000528   0.001254
    15  O   -0.005170  -0.004761   8.338717  -0.187478   0.000104   0.026152
    16  H    0.028611  -0.029670  -0.187478   1.797367  -0.000823  -0.015945
    17  H   -0.004045  -0.000528   0.000104  -0.000823   0.607333  -0.002362
    18  H    0.001440   0.001254   0.026152  -0.015945  -0.002362   0.609075
    19  H   -0.005858  -0.000860  -0.000099   0.000753  -0.002427  -0.000148
    20  O   -0.022754  -0.004782  -0.000414  -0.003238   0.000056  -0.000031
    21  H    0.278145   0.119024  -0.005384   0.004579  -0.000197   0.000139
    22  H   -0.014281  -0.143258   0.001198   0.002283  -0.000191   0.000064
    23  H   -0.002266  -0.000469   0.348299   0.030991   0.000053  -0.000116
    24  H   -0.049738  -0.004471   0.002594   0.000537  -0.000004  -0.000126
              19         20         21         22         23         24
     1  C   -0.046173  -0.015225   0.010127   0.060879   0.026534   0.001171
     2  C   -0.003387  -0.007249   0.001119   0.007787  -0.078983  -0.002177
     3  C    0.050336  -0.105736  -0.192302   0.145058   0.009688   0.023622
     4  C   -0.024233   0.325218   0.025925  -0.173923   0.017358  -0.038693
     5  O    0.001816  -0.072688  -0.067093   0.151788  -0.015700   0.050946
     6  C    0.002483  -0.011334   0.002980   0.023820  -0.081665  -0.002342
     7  O    0.019097   0.000639  -0.001227  -0.001695  -0.001333   0.000326
     8  H   -0.006245  -0.002833   0.001228   0.010648  -0.001049   0.000661
     9  O   -0.000074   0.000198  -0.000858  -0.000009   0.006844   0.000312
    10  H    0.000976  -0.001262   0.005116   0.003098   0.009616   0.000776
    11  H   -0.044572  -0.002237   0.003603  -0.011284  -0.000956   0.000434
    12  O    0.331053   0.006922   0.009869  -0.009503  -0.000299  -0.000816
    13  C   -0.005858  -0.022754   0.278145  -0.014281  -0.002266  -0.049738
    14  H   -0.000860  -0.004782   0.119024  -0.143258  -0.000469  -0.004471
    15  O   -0.000099  -0.000414  -0.005384   0.001198   0.348299   0.002594
    16  H    0.000753  -0.003238   0.004579   0.002283   0.030991   0.000537
    17  H   -0.002427   0.000056  -0.000197  -0.000191   0.000053  -0.000004
    18  H   -0.000148  -0.000031   0.000139   0.000064  -0.000116  -0.000126
    19  H    0.594182  -0.000269  -0.000752  -0.000496   0.000123  -0.000026
    20  O   -0.000269   8.379999  -0.046970  -0.206202   0.000391   0.315448
    21  H   -0.000752  -0.046970   1.533308  -0.350942   0.000787  -0.060741
    22  H   -0.000496  -0.206202  -0.350942   1.745879  -0.000510   0.028120
    23  H    0.000123   0.000391   0.000787  -0.000510   0.633059   0.000044
    24  H   -0.000026   0.315448  -0.060741   0.028120   0.000044   0.596524
 Mulliken charges:
               1
     1  C    1.002065
     2  C    0.731989
     3  C    0.927336
     4  C    0.972494
     5  O   -0.854534
     6  C    1.235156
     7  O   -0.669590
     8  H   -0.411214
     9  O   -0.633557
    10  H   -0.439950
    11  H   -0.365710
    12  O   -0.646782
    13  C    1.097545
    14  H   -0.581430
    15  O   -0.562205
    16  H   -0.387322
    17  H    0.147030
    18  H    0.130162
    19  H    0.134801
    20  O   -0.525649
    21  H   -0.269484
    22  H   -0.268329
    23  H    0.099559
    24  H    0.137619
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.590851
     2  C    0.292039
     3  C    0.561626
     4  C    0.391064
     5  O   -0.854534
     6  C    0.847834
     7  O   -0.522560
     9  O   -0.503394
    12  O   -0.511981
    13  C    0.559731
    15  O   -0.462646
    20  O   -0.388031
 Electronic spatial extent (au):  <R**2>=           2202.9255
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.8190    Y=             -0.5679    Z=              1.4329  Tot=              3.2128
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -80.0997   YY=            -72.1205   ZZ=            -69.3217
   XY=              1.3656   XZ=              1.4427   YZ=             -3.6109
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.2524   YY=              1.7268   ZZ=              4.5256
   XY=              1.3656   XZ=              1.4427   YZ=             -3.6109
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -61.9914  YYY=              3.6289  ZZZ=              2.8538  XYY=             -7.0215
  XXY=              0.5871  XXZ=             11.3706  XZZ=             -2.3926  YZZ=             -9.5004
  YYZ=              9.7639  XYZ=              7.1024
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1660.9929 YYYY=           -977.5111 ZZZZ=           -140.3217 XXXY=             36.9828
 XXXZ=             15.9446 YYYX=            -35.7817 YYYZ=            -36.3147 ZZZX=             -1.5918
 ZZZY=             -9.2886 XXYY=           -378.6635 XXZZ=           -286.7338 YYZZ=           -177.9540
 XXYZ=            -15.2902 YYXZ=              1.6039 ZZXY=              6.7868
 N-N= 8.260417754139D+02 E-N=-3.264120896195D+03  KE= 6.830819804541D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 23:49:10 2021, MaxMem=  5368709120 cpu:               5.4 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.13012779D+00-2.43535518D-01 5.71690121D-01
 Polarizability= 1.02820655D+02 2.08616172D+00 9.78110719D+01
                 2.63270382D-01-3.38801094D-01 7.81635240D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.1593   -0.1591        0.7211    0.7204
 2      0.1593    0.1591        0.1741    0.1737       -2.6946   -2.6943
 3     -0.7211   -0.7204       12.4434   12.4402       -0.1735   -0.1737
 4     -0.1741   -0.1737        0.0000    0.0000       -0.7211   -0.7204
 5     -9.7489   -9.7459        0.7211    0.7204       -0.1615   -0.1591
 6      0.1735    0.1737        0.1615    0.1591        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.4772    0.4772        2.1613    2.1613
 2     -0.5211   -0.5211        0.0000    0.0000        2.1613    2.1613
 3     -0.5211   -0.5211        0.4772    0.4772       -0.0000    0.0000
 4      0.4772    0.4772        0.5211    0.5211       -8.0828   -8.0828
 5     -2.1613   -2.1613       37.3205   37.3205       -0.5211   -0.5211
 6    -29.2377  -29.2377        2.1613    2.1613       -0.4772   -0.4772
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0376    0.0000        0.6993    0.6362       -3.1920   -2.8817
 2     -0.6107   -0.6362       -0.7281   -0.6947       10.5121   10.7771
 3      2.9031    2.8817      -49.6995  -49.7607        0.7701    0.6947
 4      0.8111    0.6947        0.0838    0.0000        2.7331    2.8817
 5     38.9795   38.9836       -2.6553   -2.8817        0.6333    0.6362
 6     -0.6056   -0.6947       -0.6820   -0.6362       -0.0507    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0727    0.0000        9.7901    9.7661        6.2604    6.4301
 2     -9.8120   -9.7661       -5.7862   -5.9238       -2.4482   -2.4899
 3     -6.4978   -6.4301       -7.4877   -7.1277        5.9967    5.9238
 4      5.9509    5.9238       -0.1170    0.0000       -6.4204   -6.4301
 5      9.7113    9.6176        6.1890    6.4301        8.9812    9.7661
 6     -5.8644   -5.9238       -9.6670   -9.7661        0.1010    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -21.6840  -21.8048        3.3439    3.3304       -9.5010   -9.8022
 2    -20.2762  -20.2816       14.7911   15.0302       -9.6606   -9.8022
 3    -20.1610  -20.2816        3.1527    3.3304      -13.3680  -13.5856
 4    -11.7422  -11.6998       -1.3598   -1.5233       -9.2034   -9.1160
 5     -3.6236   -3.7833      -13.0483  -12.5412        1.7238    1.5233
 6     21.7830   21.6571        3.5715    3.7833       10.2518   11.6998
 Full mass-weighted force constant matrix:
 Low frequencies ---  -10.5076   -4.8705    0.0005    0.0008    0.0010    0.5232
 Low frequencies ---   70.9509  103.5575  117.2838
 Diagonal vibrational polarizability:
       69.7503613      44.7150144      59.1676933
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     70.9504               103.5561               117.2834
 Red. masses --      6.9694                 4.8288                 5.6334
 Frc consts  --      0.0207                 0.0305                 0.0457
 IR Inten    --      0.1918                 4.6923                 0.8313
 RamAct Fr= 1--      0.0152                 0.0473                 0.0586
  Dep-P Fr= 1--      0.7491                 0.6875                 0.6218
  Dep-U Fr= 1--      0.8566                 0.8148                 0.7668
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0001
 Beta2  Fr= 1--      0.0022                 0.0064                 0.0075
 AlphaG Fr= 1--      0.0000                 0.0001                 0.0001
 Gamma2 Fr= 1--     -0.0351                -0.0960                -0.0071
 Delta2 Fr= 1--     -0.0065                -0.0201                -0.0074
 Raman1 Fr= 1--       0.061                  0.189                  0.234
 ROA1   Fr= 1--      -3.576                 -9.864                 -0.919
 CID1   Fr= 1--     -58.777                -52.089                 -3.923
 Raman2 Fr= 1--       0.026                  0.077                  0.090
 ROA2   Fr= 1--      -0.790                 -2.144                 -0.111
 CID2   Fr= 1--     -30.321                -27.786                 -1.241
 Raman3 Fr= 1--       0.052                  0.154                  0.180
 ROA3   Fr= 1--      -3.576                 -9.864                 -0.919
 CID3   Fr= 1--     -68.619                -63.929                 -5.116
 RC180  Fr= 1--       0.713                  0.630                  0.534
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.00   0.03    -0.02   0.03   0.06     0.01  -0.01  -0.07
     2   6     0.03  -0.01   0.08    -0.00  -0.02  -0.06     0.05   0.01   0.03
     3   6     0.01   0.03  -0.12     0.01   0.05  -0.03    -0.02   0.01   0.03
     4   6     0.03   0.01  -0.06    -0.01   0.05  -0.04     0.01   0.08  -0.08
     5   8     0.00  -0.00  -0.13     0.02   0.08   0.08     0.06   0.04  -0.14
     6   6    -0.01   0.05  -0.11     0.06   0.01   0.02     0.03   0.02  -0.04
     7   8     0.02  -0.01   0.11    -0.01  -0.05   0.25    -0.05   0.01  -0.23
     8   1    -0.15  -0.01   0.03    -0.11   0.15   0.07     0.09  -0.10  -0.08
     9   8    -0.05  -0.00   0.28     0.06  -0.03  -0.21    -0.00  -0.04   0.18
    10   1     0.21  -0.04   0.08    -0.12  -0.06  -0.06     0.16   0.05   0.03
    11   1     0.09   0.14  -0.12     0.08   0.08  -0.03    -0.07  -0.15   0.04
    12   8    -0.03  -0.02  -0.28    -0.04   0.04  -0.09    -0.04   0.11   0.25
    13   6    -0.03   0.01   0.11     0.03   0.04  -0.14     0.03   0.01  -0.10
    14   1     0.13   0.03  -0.06    -0.09  -0.03  -0.04    -0.03   0.15  -0.08
    15   8     0.01  -0.01  -0.26     0.09   0.01   0.04     0.10   0.01   0.01
    16   1    -0.06   0.18  -0.12     0.12  -0.02   0.02    -0.06   0.00  -0.03
    17   1    -0.01  -0.03   0.23    -0.01   0.03   0.20    -0.04  -0.10  -0.19
    18   1     0.03  -0.04   0.21     0.03  -0.02  -0.22     0.05  -0.04   0.22
    19   1     0.02   0.02  -0.22    -0.01   0.06   0.00    -0.12   0.03   0.22
    20   8     0.02  -0.04   0.31    -0.14  -0.21   0.10    -0.15  -0.22   0.10
    21   1    -0.18   0.09   0.11     0.10   0.35  -0.14     0.04   0.23  -0.10
    22   1     0.03  -0.02   0.11     0.13  -0.10  -0.43     0.17  -0.12  -0.29
    23   1     0.09  -0.14  -0.28    -0.03   0.06   0.06     0.21   0.03  -0.00
    24   1    -0.05  -0.01   0.26    -0.32  -0.08   0.25    -0.39  -0.09   0.12
                      4                      5                      6
                      A                      A                      A
 Frequencies --    147.7520               189.1491               234.1075
 Red. masses --      5.8293                 2.5972                 2.9835
 Frc consts  --      0.0750                 0.0547                 0.0963
 IR Inten    --      1.4341                 0.4614                12.0813
 RamAct Fr= 1--      0.0719                 0.1240                 0.3370
  Dep-P Fr= 1--      0.5100                 0.6990                 0.7417
  Dep-U Fr= 1--      0.6755                 0.8228                 0.8517
 Alpha2 Fr= 1--      0.0003                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0081                 0.0170                 0.0478
 AlphaG Fr= 1--      0.0000                -0.0008                -0.0009
 Gamma2 Fr= 1--     -0.0124                -0.1724                 0.1089
 Delta2 Fr= 1--      0.0135                -0.1568                 0.0952
 Raman1 Fr= 1--       0.288                  0.496                  1.348
 ROA1   Fr= 1--      -0.760                -21.564                 13.503
 CID1   Fr= 1--      -2.645                -43.475                 10.017
 Raman2 Fr= 1--       0.097                  0.204                  0.574
 ROA2   Fr= 1--      -0.406                 -2.882                  1.853
 CID2   Fr= 1--      -4.181                -14.123                  3.227
 Raman3 Fr= 1--       0.194                  0.408                  1.148
 ROA3   Fr= 1--      -0.760                -21.564                 13.503
 CID3   Fr= 1--      -3.915                -52.837                 11.761
 RC180  Fr= 1--       0.351                  0.646                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.04     0.01   0.01   0.01     0.04  -0.01   0.00
     2   6     0.01  -0.01   0.08     0.02  -0.00  -0.02     0.04  -0.01  -0.02
     3   6    -0.00   0.08   0.07     0.00   0.06   0.01     0.02   0.02   0.02
     4   6     0.00   0.02   0.19     0.03   0.07   0.04    -0.02  -0.01   0.01
     5   8    -0.03   0.07   0.30     0.01   0.03  -0.10    -0.02  -0.00   0.03
     6   6     0.07   0.07   0.05     0.01  -0.00  -0.03    -0.00  -0.05  -0.02
     7   8    -0.06   0.02  -0.14    -0.05  -0.04   0.02    -0.16  -0.16  -0.03
     8   1     0.09  -0.11   0.03     0.02   0.03   0.01     0.07  -0.01  -0.00
     9   8     0.02  -0.04   0.07     0.02   0.02  -0.03    -0.01   0.23   0.01
    10   1     0.01  -0.02   0.08     0.02  -0.02  -0.02     0.05  -0.03  -0.02
    11   1    -0.02   0.22   0.07    -0.00   0.14   0.01     0.02   0.05   0.02
    12   8    -0.01   0.01  -0.10    -0.03   0.05  -0.08     0.10  -0.02  -0.01
    13   6     0.06  -0.05   0.02    -0.01  -0.13   0.18    -0.00   0.04  -0.05
    14   1    -0.06  -0.07   0.19     0.14   0.17   0.04    -0.06  -0.02   0.01
    15   8     0.05  -0.03  -0.27     0.09   0.01   0.10     0.03  -0.05  -0.00
    16   1     0.26   0.27   0.05    -0.06  -0.07  -0.03     0.03  -0.06  -0.02
    17   1    -0.03  -0.04  -0.20    -0.05  -0.13   0.05    -0.16  -0.58   0.23
    18   1     0.13  -0.10  -0.11    -0.06   0.07   0.08    -0.34   0.37   0.25
    19   1    -0.03   0.03  -0.22    -0.02   0.05  -0.07     0.20   0.06   0.02
    20   8    -0.11  -0.09  -0.18    -0.08  -0.06  -0.08     0.01   0.02   0.02
    21   1     0.23  -0.10   0.02    -0.11  -0.47   0.17     0.05   0.15  -0.05
    22   1     0.08  -0.07  -0.01     0.09  -0.07   0.50    -0.04   0.03  -0.15
    23   1    -0.14  -0.23  -0.25     0.24   0.08   0.08     0.05  -0.04  -0.01
    24   1    -0.16  -0.06  -0.13    -0.18  -0.06  -0.36     0.03   0.03   0.10
                      7                      8                      9
                      A                      A                      A
 Frequencies --    242.6956               274.4546               301.7581
 Red. masses --      3.5848                 2.8232                 3.3018
 Frc consts  --      0.1244                 0.1253                 0.1771
 IR Inten    --     12.1176                 8.7307                12.3648
 RamAct Fr= 1--      0.4118                 0.2388                 0.4485
  Dep-P Fr= 1--      0.4796                 0.7165                 0.4121
  Dep-U Fr= 1--      0.6482                 0.8348                 0.5837
 Alpha2 Fr= 1--      0.0022                 0.0001                 0.0032
 Beta2  Fr= 1--      0.0445                 0.0332                 0.0436
 AlphaG Fr= 1--     -0.0001                 0.0009                 0.0024
 Gamma2 Fr= 1--     -0.0626                -0.0500                -0.0445
 Delta2 Fr= 1--     -0.0826                 0.0320                -0.0170
 Raman1 Fr= 1--       1.647                  0.955                  1.794
 ROA1   Fr= 1--      -8.655                 -3.776                 -4.816
 CID1   Fr= 1--      -5.255                 -3.953                 -2.685
 Raman2 Fr= 1--       0.534                  0.399                  0.524
 ROA2   Fr= 1--      -0.841                 -1.455                 -0.932
 CID2   Fr= 1--      -1.576                 -3.650                 -1.779
 Raman3 Fr= 1--       1.068                  0.797                  1.047
 ROA3   Fr= 1--      -8.655                 -3.776                 -4.816
 CID3   Fr= 1--      -8.106                 -4.735                 -4.600
 RC180  Fr= 1--       0.296                  0.670                  0.167
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.09  -0.06    -0.04   0.03   0.01    -0.04   0.02  -0.17
     2   6     0.08   0.04  -0.07    -0.05  -0.01   0.02    -0.04   0.01  -0.14
     3   6    -0.02   0.04  -0.02    -0.03  -0.02   0.01    -0.01  -0.01  -0.14
     4   6    -0.03   0.01   0.02    -0.07  -0.01   0.01     0.03  -0.02  -0.03
     5   8     0.03  -0.02  -0.01    -0.02  -0.00  -0.00    -0.09   0.10   0.15
     6   6     0.04   0.03  -0.03    -0.01  -0.01   0.01     0.01   0.01  -0.04
     7   8    -0.14  -0.04   0.04     0.05   0.10  -0.00     0.05  -0.02   0.06
     8   1    -0.05   0.16  -0.06    -0.05   0.02   0.01    -0.14   0.13  -0.16
     9   8     0.07  -0.18   0.06    -0.04  -0.03  -0.03    -0.12  -0.05   0.06
    10   1     0.16   0.08  -0.06    -0.09  -0.00   0.01     0.07   0.10  -0.13
    11   1    -0.08   0.05  -0.02    -0.05  -0.01   0.01    -0.12  -0.11  -0.14
    12   8     0.22  -0.05   0.00     0.16  -0.11  -0.00     0.00   0.07   0.07
    13   6    -0.03   0.03   0.02    -0.09   0.05   0.01     0.03  -0.08   0.02
    14   1    -0.01   0.02   0.02    -0.07   0.01   0.01     0.09  -0.19  -0.03
    15   8    -0.12   0.09   0.02     0.16  -0.07  -0.01     0.07   0.01  -0.00
    16   1     0.07  -0.03  -0.03    -0.05   0.02   0.01     0.16  -0.04  -0.04
    17   1    -0.15  -0.22   0.17     0.05   0.26  -0.08    -0.03  -0.11   0.39
    18   1     0.39  -0.31  -0.12    -0.16   0.06   0.24    -0.16   0.02   0.37
    19   1     0.46   0.15   0.15     0.32   0.03   0.04     0.09   0.08   0.36
    20   8    -0.07   0.02  -0.02    -0.11   0.06   0.00     0.08  -0.03  -0.02
    21   1    -0.03   0.01   0.02    -0.09   0.07   0.01    -0.02  -0.17   0.02
    22   1    -0.03   0.02   0.03    -0.11   0.06  -0.01     0.05  -0.06   0.12
    23   1    -0.28   0.16   0.05     0.68  -0.21  -0.10     0.19   0.02  -0.02
    24   1    -0.11   0.03  -0.04    -0.15   0.07  -0.06     0.20  -0.07   0.08
                     10                     11                     12
                      A                      A                      A
 Frequencies --    323.2862               344.1330               376.8943
 Red. masses --      2.4291                 1.9138                 1.2630
 Frc consts  --      0.1496                 0.1335                 0.1057
 IR Inten    --     62.5230                14.5118                70.3080
 RamAct Fr= 1--      1.4232                 1.4728                 1.2644
  Dep-P Fr= 1--      0.4491                 0.0923                 0.5844
  Dep-U Fr= 1--      0.6198                 0.1690                 0.7377
 Alpha2 Fr= 1--      0.0088                 0.0263                 0.0039
 Beta2  Fr= 1--      0.1470                 0.0415                 0.1555
 AlphaG Fr= 1--      0.0001                -0.0141                 0.0044
 Gamma2 Fr= 1--      0.8348                 0.1327                 0.2727
 Delta2 Fr= 1--      0.5776                -0.0146                 0.2931
 Raman1 Fr= 1--       5.693                  5.891                  5.058
 ROA1   Fr= 1--      98.626                 12.271                 35.560
 CID1   Fr= 1--      17.325                  2.083                  7.031
 Raman2 Fr= 1--       1.764                  0.498                  1.866
 ROA2   Fr= 1--      15.415                  3.302                  4.200
 CID2   Fr= 1--       8.738                  6.633                  2.251
 Raman3 Fr= 1--       3.528                  0.996                  3.731
 ROA3   Fr= 1--      98.626                 12.271                 35.560
 CID3   Fr= 1--      27.952                 12.326                  9.531
 RC180  Fr= 1--       0.240                 -0.662                  0.475
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.03   0.07     0.03   0.00  -0.04     0.00  -0.02   0.02
     2   6    -0.06   0.04   0.07     0.08   0.02  -0.03    -0.02   0.00   0.06
     3   6    -0.00   0.01   0.04    -0.01  -0.01  -0.00     0.01  -0.02  -0.01
     4   6     0.03  -0.01   0.00    -0.01  -0.02   0.04    -0.00   0.00  -0.03
     5   8    -0.01  -0.00  -0.03     0.03  -0.06   0.04    -0.00   0.01  -0.01
     6   6    -0.04   0.09   0.03     0.03  -0.01  -0.02    -0.01   0.02   0.04
     7   8    -0.14   0.03  -0.03     0.07   0.01   0.00     0.05   0.05  -0.06
     8   1    -0.02  -0.01   0.06     0.03   0.03  -0.04    -0.01  -0.09   0.01
     9   8     0.01  -0.07  -0.07     0.09  -0.02  -0.02     0.01   0.00  -0.03
    10   1    -0.14   0.02   0.06     0.10   0.03  -0.03    -0.08  -0.01   0.06
    11   1     0.05   0.03   0.04    -0.06  -0.01  -0.00     0.03  -0.04  -0.01
    12   8     0.00  -0.02  -0.02    -0.07   0.01   0.01    -0.01  -0.01  -0.00
    13   6     0.09  -0.06  -0.04    -0.03   0.04   0.01    -0.02  -0.00   0.00
    14   1    -0.01   0.02   0.00    -0.00  -0.05   0.04     0.00  -0.01  -0.03
    15   8    -0.04   0.08  -0.00    -0.13   0.03  -0.01     0.02  -0.01  -0.01
    16   1    -0.12   0.17   0.02     0.07  -0.00  -0.02    -0.06   0.06   0.04
    17   1    -0.13  -0.14   0.04     0.00  -0.19   0.36    -0.10  -0.46   0.73
    18   1    -0.03  -0.02   0.18    -0.14   0.15   0.55     0.13  -0.10  -0.34
    19   1     0.04   0.02  -0.00    -0.23  -0.09  -0.22     0.07   0.03   0.15
    20   8     0.14  -0.06   0.01    -0.07   0.02  -0.01    -0.01   0.01   0.01
    21   1     0.11  -0.02  -0.04     0.02   0.08   0.01    -0.07  -0.03   0.00
    22   1     0.08  -0.07  -0.08    -0.05   0.04  -0.04    -0.01   0.01   0.05
    23   1     0.74  -0.18  -0.14     0.45  -0.16  -0.11    -0.06  -0.03   0.00
    24   1     0.26  -0.09   0.17    -0.16   0.05  -0.10    -0.05   0.01  -0.09
                     13                     14                     15
                      A                      A                      A
 Frequencies --    391.9660               394.1525               411.3216
 Red. masses --      1.5840                 1.7859                 1.4693
 Frc consts  --      0.1434                 0.1635                 0.1465
 IR Inten    --     87.6481                13.2908               167.6052
 RamAct Fr= 1--      2.0960                 1.1110                 1.9235
  Dep-P Fr= 1--      0.6993                 0.7434                 0.4864
  Dep-U Fr= 1--      0.8230                 0.8528                 0.6544
 Alpha2 Fr= 1--      0.0019                 0.0001                 0.0101
 Beta2  Fr= 1--      0.2875                 0.1579                 0.2098
 AlphaG Fr= 1--      0.0014                 0.0012                -0.0101
 Gamma2 Fr= 1--     -0.5399                 0.3784                -1.3071
 Delta2 Fr= 1--     -0.3840                 0.0957                -0.9350
 Raman1 Fr= 1--       8.384                  4.444                  7.694
 ROA1   Fr= 1--     -64.117                 39.389               -155.398
 CID1   Fr= 1--      -7.647                  8.864                -20.197
 Raman2 Fr= 1--       3.450                  1.895                  2.518
 ROA2   Fr= 1--      -9.884                  8.316                -23.889
 CID2   Fr= 1--      -2.865                  4.388                 -9.489
 Raman3 Fr= 1--       6.901                  3.790                  5.035
 ROA3   Fr= 1--     -64.117                 39.389               -155.398
 CID3   Fr= 1--      -9.292                 10.393                -30.862
 RC180  Fr= 1--       0.646                  0.706                  0.309
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03   0.01     0.03  -0.01   0.01     0.04  -0.02  -0.02
     2   6    -0.04  -0.01  -0.01     0.04  -0.00   0.08     0.02  -0.01  -0.05
     3   6    -0.02  -0.04   0.04     0.03   0.04  -0.06    -0.00  -0.00   0.04
     4   6     0.05   0.02   0.06    -0.02  -0.01  -0.08     0.00   0.01   0.07
     5   8     0.05  -0.00  -0.02    -0.02   0.00   0.03    -0.02  -0.01  -0.01
     6   6     0.01   0.02  -0.01    -0.02  -0.02   0.07    -0.00  -0.01  -0.05
     7   8     0.02   0.02  -0.02    -0.01  -0.03  -0.01     0.05  -0.04  -0.01
     8   1     0.02  -0.02   0.01    -0.01  -0.06   0.01     0.09   0.02  -0.02
     9   8    -0.04  -0.02  -0.02     0.09  -0.00  -0.03    -0.03   0.04   0.04
    10   1    -0.05  -0.02  -0.01    -0.02   0.03   0.08     0.07  -0.04  -0.05
    11   1    -0.04   0.00   0.04     0.11  -0.00  -0.06    -0.03   0.05   0.04
    12   8    -0.05  -0.09  -0.05    -0.02   0.09  -0.02    -0.06  -0.02  -0.05
    13   6     0.08   0.05   0.01    -0.06  -0.02  -0.01     0.02   0.03   0.01
    14   1     0.07   0.07   0.06    -0.03  -0.09  -0.08     0.02   0.04   0.07
    15   8    -0.00   0.05  -0.01    -0.06  -0.05  -0.03    -0.04   0.02   0.03
    16   1     0.02   0.03  -0.01    -0.06   0.04   0.07     0.02  -0.06  -0.05
    17   1     0.00   0.01   0.04     0.05   0.12  -0.30     0.05   0.02  -0.05
    18   1    -0.25   0.12   0.40     0.00   0.05   0.10     0.21  -0.12  -0.45
    19   1     0.27   0.07   0.56     0.27   0.19   0.71     0.17   0.08   0.45
    20   8     0.01  -0.01   0.00     0.00   0.01   0.02    -0.05   0.01  -0.03
    21   1     0.16   0.11   0.02    -0.17  -0.09  -0.01     0.12   0.08   0.02
    22   1     0.08   0.02  -0.07    -0.04   0.00   0.09    -0.01   0.01  -0.07
    23   1    -0.32   0.15   0.05     0.10  -0.21  -0.06     0.48  -0.06  -0.05
    24   1    -0.22   0.05  -0.28    -0.09   0.01  -0.23     0.15  -0.01   0.37
                     16                     17                     18
                      A                      A                      A
 Frequencies --    414.1040               424.2858               447.6371
 Red. masses --      1.4122                 4.0325                 3.9807
 Frc consts  --      0.1427                 0.4277                 0.4700
 IR Inten    --    142.1686                22.1317                 6.8372
 RamAct Fr= 1--      1.1488                 4.0038                 7.0130
  Dep-P Fr= 1--      0.6976                 0.4355                 0.1499
  Dep-U Fr= 1--      0.8219                 0.6068                 0.2607
 Alpha2 Fr= 1--      0.0011                 0.0260                 0.1084
 Beta2  Fr= 1--      0.1574                 0.4049                 0.3047
 AlphaG Fr= 1--      0.0012                 0.0096                 0.0119
 Gamma2 Fr= 1--     -0.2380                 0.3631                 0.5221
 Delta2 Fr= 1--     -0.2713                 0.0162                 0.7433
 Raman1 Fr= 1--       4.595                 16.015                 28.052
 ROA1   Fr= 1--     -31.530                 35.375                 73.909
 CID1   Fr= 1--      -6.862                  2.209                  2.635
 Raman2 Fr= 1--       1.888                  4.859                  3.657
 ROA2   Fr= 1--      -3.542                  8.584                  6.585
 CID2   Fr= 1--      -1.876                  1.767                  1.801
 Raman3 Fr= 1--       3.776                  9.718                  7.313
 ROA3   Fr= 1--     -31.530                 35.375                 73.909
 CID3   Fr= 1--      -8.349                  3.640                 10.107
 RC180  Fr= 1--       0.644                  0.214                 -0.479
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.04   0.02    -0.10   0.06  -0.07    -0.04   0.14   0.00
     2   6     0.03   0.01   0.01     0.06   0.10   0.01     0.04   0.00  -0.11
     3   6    -0.03   0.01   0.01    -0.11  -0.14  -0.10    -0.05   0.11   0.06
     4   6    -0.03  -0.02   0.00    -0.00  -0.11  -0.05    -0.05  -0.03   0.10
     5   8     0.03  -0.04  -0.02     0.12  -0.09   0.07     0.01  -0.13   0.00
     6   6     0.03  -0.02   0.00     0.12   0.07   0.04     0.02  -0.16  -0.06
     7   8    -0.02   0.07  -0.01    -0.11   0.03   0.04    -0.07   0.20   0.00
     8   1    -0.02   0.03   0.02    -0.21   0.08  -0.06     0.01   0.24   0.01
     9   8     0.06  -0.01  -0.02     0.07   0.16   0.04    -0.02   0.01   0.04
    10   1     0.03   0.00   0.01     0.09   0.16   0.01     0.13  -0.04  -0.10
    11   1    -0.01   0.02   0.01    -0.14  -0.25  -0.09    -0.08   0.21   0.06
    12   8    -0.03   0.00  -0.01    -0.11  -0.13   0.03    -0.04   0.09  -0.04
    13   6    -0.04  -0.04   0.01    -0.04  -0.04   0.01     0.04  -0.03  -0.05
    14   1    -0.02   0.00   0.00     0.02  -0.23  -0.05    -0.14   0.01   0.10
    15   8     0.04  -0.02  -0.01     0.09   0.09  -0.01     0.01  -0.17   0.03
    16   1     0.02  -0.02   0.00     0.16   0.12   0.04     0.08  -0.28  -0.06
    17   1    -0.04   0.00   0.10    -0.07   0.16  -0.16    -0.11   0.05   0.23
    18   1    -0.11   0.10   0.30     0.20   0.04  -0.41     0.11  -0.06  -0.16
    19   1     0.07   0.05   0.19    -0.07  -0.13   0.16     0.04   0.14   0.11
    20   8    -0.03  -0.00  -0.05     0.01  -0.01   0.01     0.12  -0.04   0.04
    21   1    -0.05  -0.09   0.01    -0.12  -0.10   0.00     0.16   0.10  -0.04
    22   1    -0.03  -0.03   0.07    -0.04  -0.01   0.08    -0.03  -0.04  -0.20
    23   1    -0.31   0.07   0.04     0.20   0.02  -0.03     0.03  -0.13   0.03
    24   1     0.42  -0.08   0.71    -0.13  -0.01  -0.30    -0.15  -0.01  -0.51
                     19                     20                     21
                      A                      A                      A
 Frequencies --    492.2955               574.3006               601.5330
 Red. masses --      3.6520                 3.4770                 5.0703
 Frc consts  --      0.5215                 0.6757                 1.0809
 IR Inten    --      2.5234                31.5423                 5.9013
 RamAct Fr= 1--      5.6670                 1.9865                 0.1273
  Dep-P Fr= 1--      0.1049                 0.1459                 0.7045
  Dep-U Fr= 1--      0.1898                 0.2547                 0.8266
 Alpha2 Fr= 1--      0.0980                 0.0310                 0.0001
 Beta2  Fr= 1--      0.1793                 0.0843                 0.0175
 AlphaG Fr= 1--     -0.0230                 0.0085                -0.0002
 Gamma2 Fr= 1--     -0.5282                -0.2091                 0.0518
 Delta2 Fr= 1--     -0.2206                -0.0711                 0.0551
 Raman1 Fr= 1--      22.668                  7.946                  0.509
 ROA1   Fr= 1--     -57.769                -22.345                  6.737
 CID1   Fr= 1--      -2.548                 -2.812                 13.228
 Raman2 Fr= 1--       2.152                  1.012                  0.211
 ROA2   Fr= 1--     -10.912                 -4.449                  0.802
 CID2   Fr= 1--      -5.072                 -4.397                  3.811
 Raman3 Fr= 1--       4.303                  2.024                  0.421
 ROA3   Fr= 1--     -57.769                -22.345                  6.737
 CID3   Fr= 1--     -13.425                -11.041                 16.003
 RC180  Fr= 1--      -0.620                 -0.491                  0.653
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.01  -0.11    -0.04  -0.03   0.17    -0.13  -0.07  -0.04
     2   6    -0.07   0.01   0.08    -0.02  -0.14  -0.05     0.10  -0.11   0.05
     3   6    -0.05   0.02  -0.15     0.07  -0.03  -0.03    -0.20  -0.00  -0.01
     4   6     0.12   0.05   0.05     0.08   0.03  -0.15    -0.05   0.20  -0.02
     5   8     0.13  -0.08  -0.06     0.11   0.05   0.08    -0.09   0.23  -0.01
     6   6    -0.02  -0.04   0.14     0.15  -0.07  -0.08     0.01  -0.07  -0.04
     7   8    -0.02  -0.01   0.04    -0.07   0.12  -0.04     0.04   0.05   0.00
     8   1    -0.30  -0.07  -0.10    -0.04  -0.06   0.16    -0.30  -0.18  -0.04
     9   8    -0.06   0.04  -0.03    -0.11   0.02   0.01     0.19   0.07   0.01
    10   1    -0.18   0.17   0.08     0.01  -0.45  -0.06     0.20  -0.20   0.05
    11   1    -0.21   0.01  -0.14     0.31  -0.13  -0.03    -0.38  -0.03  -0.01
    12   8     0.07   0.08   0.04     0.03   0.01   0.01     0.01  -0.17   0.03
    13   6     0.15   0.09   0.10     0.00   0.02   0.01     0.07  -0.01  -0.01
    14   1     0.31   0.02   0.05     0.08  -0.09  -0.14    -0.08   0.30  -0.02
    15   8    -0.08  -0.12  -0.03    -0.12   0.02   0.03    -0.11  -0.08   0.02
    16   1    -0.12   0.02   0.14     0.35  -0.16  -0.07     0.01  -0.15  -0.03
    17   1    -0.04   0.11   0.04    -0.06   0.02  -0.04    -0.02   0.22   0.10
    18   1    -0.07   0.01  -0.17    -0.17   0.02  -0.10    -0.00   0.11  -0.08
    19   1    -0.01   0.04  -0.11    -0.00  -0.02   0.01     0.17   0.02  -0.11
    20   8    -0.07  -0.01  -0.06    -0.05   0.01  -0.00     0.10  -0.05   0.00
    21   1     0.27   0.10   0.10    -0.22  -0.16   0.01     0.01  -0.11  -0.02
    22   1     0.19   0.04   0.02     0.13   0.04   0.25     0.21  -0.04   0.10
    23   1     0.01  -0.36  -0.05     0.20  -0.03  -0.03     0.03  -0.13  -0.00
    24   1    -0.02   0.04   0.29    -0.04   0.03   0.10     0.07  -0.05  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    633.9880               640.3201               887.4094
 Red. masses --      2.9748                 4.0606                 2.1011
 Frc consts  --      0.7045                 0.9809                 0.9749
 IR Inten    --     13.3044                15.1450                50.9626
 RamAct Fr= 1--      0.3381                 0.1547                 2.5470
  Dep-P Fr= 1--      0.5609                 0.6984                 0.4120
  Dep-U Fr= 1--      0.7187                 0.8224                 0.5835
 Alpha2 Fr= 1--      0.0012                 0.0001                 0.0181
 Beta2  Fr= 1--      0.0405                 0.0212                 0.2477
 AlphaG Fr= 1--     -0.0018                 0.0003                -0.0372
 Gamma2 Fr= 1--     -0.0569                 0.1015                -0.4806
 Delta2 Fr= 1--     -0.0042                -0.0182                -0.1999
 Raman1 Fr= 1--       1.352                  0.619                 10.188
 ROA1   Fr= 1--      -5.599                  9.160                -52.535
 CID1   Fr= 1--      -4.141                 14.800                 -5.157
 Raman2 Fr= 1--       0.486                  0.254                  2.972
 ROA2   Fr= 1--      -1.333                  2.581                 -9.935
 CID2   Fr= 1--      -2.743                 10.144                 -3.342
 Raman3 Fr= 1--       0.972                  0.509                  5.945
 ROA3   Fr= 1--      -5.599                  9.160                -52.535
 CID3   Fr= 1--      -5.762                 17.997                 -8.837
 RC180  Fr= 1--       0.437                  0.645                  0.167
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.09  -0.06    -0.05  -0.09  -0.04     0.01  -0.01  -0.01
     2   6    -0.02   0.12  -0.09    -0.04  -0.06   0.02     0.01  -0.02  -0.01
     3   6     0.03  -0.02   0.13    -0.13   0.12   0.06     0.05  -0.02  -0.04
     4   6    -0.00   0.10  -0.09    -0.14   0.06   0.04     0.01  -0.05   0.08
     5   8     0.09   0.08  -0.00     0.18  -0.08  -0.00     0.03   0.14  -0.08
     6   6     0.03  -0.01   0.14     0.14   0.03   0.06     0.10   0.01   0.06
     7   8    -0.01  -0.03   0.02     0.12  -0.09  -0.01    -0.02   0.02   0.01
     8   1     0.33   0.30  -0.05    -0.07  -0.19  -0.05    -0.04   0.00  -0.00
     9   8    -0.08  -0.02   0.01    -0.11   0.02  -0.01    -0.02   0.00   0.00
    10   1    -0.07   0.39  -0.08    -0.11  -0.07   0.02    -0.01  -0.02  -0.02
    11   1     0.08  -0.06   0.13    -0.30   0.28   0.05     0.03  -0.02  -0.03
    12   8    -0.06  -0.12  -0.02     0.06   0.08  -0.01    -0.00  -0.00   0.01
    13   6    -0.02  -0.01  -0.04    -0.12  -0.09  -0.10    -0.12  -0.11   0.04
    14   1    -0.15   0.20  -0.09    -0.40   0.17   0.04     0.28   0.06   0.08
    15   8    -0.05  -0.11  -0.02    -0.02   0.11  -0.02    -0.03  -0.01   0.00
    16   1     0.04  -0.05   0.14     0.20   0.10   0.05     0.11  -0.04   0.06
    17   1     0.02  -0.10  -0.04     0.07   0.11   0.08    -0.01  -0.01  -0.01
    18   1     0.10  -0.06   0.08    -0.18   0.03  -0.07    -0.05   0.01  -0.01
    19   1    -0.01  -0.07  -0.03     0.17   0.20  -0.06    -0.07  -0.07   0.05
    20   8     0.01  -0.01   0.01     0.08  -0.03   0.03    -0.01   0.02  -0.00
    21   1    -0.24  -0.19  -0.04    -0.24  -0.17  -0.10     0.27   0.34   0.06
    22   1     0.12   0.00   0.21    -0.08  -0.07   0.04    -0.40  -0.16  -0.50
    23   1    -0.03  -0.40  -0.04     0.06  -0.01  -0.04    -0.04  -0.22  -0.01
    24   1     0.03  -0.01   0.06     0.16  -0.10  -0.07     0.22  -0.14  -0.20
                     25                     26                     27
                      A                      A                      A
 Frequencies --    996.6430              1014.6264              1022.1587
 Red. masses --      3.9070                 3.5547                 4.0888
 Frc consts  --      2.2865                 2.1561                 2.5170
 IR Inten    --     76.0596                23.8244                18.8584
 RamAct Fr= 1--      0.3411                 0.5046                 1.1533
  Dep-P Fr= 1--      0.2841                 0.7042                 0.6799
  Dep-U Fr= 1--      0.4425                 0.8264                 0.8094
 Alpha2 Fr= 1--      0.0037                 0.0004                 0.0014
 Beta2  Fr= 1--      0.0252                 0.0695                 0.1556
 AlphaG Fr= 1--      0.0046                 0.0052                -0.0007
 Gamma2 Fr= 1--      0.0119                 0.0227                 0.5503
 Delta2 Fr= 1--      0.0402                 0.0659                 0.3035
 Raman1 Fr= 1--       1.364                  2.018                  4.613
 ROA1   Fr= 1--       2.429                  4.291                 62.545
 CID1   Fr= 1--       1.780                  2.126                 13.558
 Raman2 Fr= 1--       0.302                  0.834                  1.867
 ROA2   Fr= 1--      -0.036                  0.018                 10.780
 CID2   Fr= 1--      -0.118                  0.021                  5.774
 Raman3 Fr= 1--       0.604                  1.668                  3.734
 ROA3   Fr= 1--       2.429                  4.291                 62.545
 CID3   Fr= 1--       4.023                  2.572                 16.749
 RC180  Fr= 1--      -0.115                  0.653                  0.619
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.12   0.23     0.13   0.07   0.04     0.22   0.08  -0.11
     2   6     0.02   0.19   0.05     0.10  -0.18  -0.08     0.09  -0.07   0.21
     3   6    -0.17   0.06  -0.14    -0.10   0.03  -0.07     0.06   0.07  -0.14
     4   6    -0.08  -0.00  -0.05    -0.12  -0.05  -0.04     0.00   0.08   0.10
     5   8     0.01   0.01   0.01    -0.08  -0.01  -0.06     0.10   0.01   0.05
     6   6     0.08   0.01  -0.10     0.01  -0.02   0.20    -0.09  -0.07  -0.11
     7   8     0.10  -0.10  -0.06     0.00   0.04   0.01    -0.06   0.08   0.07
     8   1     0.01  -0.06   0.20     0.25   0.26   0.04    -0.04   0.03  -0.10
     9   8    -0.09  -0.01  -0.04    -0.04  -0.02   0.01    -0.10  -0.04  -0.06
    10   1    -0.10  -0.04   0.04     0.07  -0.24  -0.08     0.05  -0.09   0.19
    11   1    -0.02  -0.06  -0.13    -0.07  -0.05  -0.07    -0.29   0.07  -0.12
    12   8    -0.03  -0.05   0.04    -0.02  -0.01   0.01    -0.05  -0.11   0.05
    13   6    -0.01   0.04   0.10     0.05   0.10   0.09    -0.06  -0.02  -0.06
    14   1     0.18  -0.17  -0.04    -0.04  -0.14  -0.04    -0.04   0.11   0.09
    15   8    -0.02  -0.09   0.02     0.03   0.14  -0.03    -0.01   0.00  -0.00
    16   1     0.15  -0.05  -0.10    -0.06  -0.04   0.19    -0.17   0.13  -0.11
    17   1     0.17  -0.30  -0.19     0.10  -0.25  -0.17     0.10  -0.38  -0.24
    18   1     0.38  -0.10   0.23    -0.30   0.03  -0.14    -0.25  -0.02  -0.14
    19   1     0.18   0.19  -0.14     0.07   0.09  -0.05    -0.07  -0.13   0.07
    20   8     0.04  -0.05  -0.03     0.05  -0.06  -0.04     0.01  -0.01   0.01
    21   1     0.18   0.18   0.10     0.13   0.04   0.09    -0.11  -0.08  -0.06
    22   1    -0.01  -0.04  -0.13     0.06   0.09   0.08    -0.02  -0.01   0.02
    23   1     0.01   0.13   0.03    -0.10  -0.45  -0.05     0.10   0.38   0.00
    24   1     0.05  -0.06  -0.06    -0.12   0.05   0.06     0.05  -0.03  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1053.3295              1069.4374              1085.5385
 Red. masses --      2.7780                 3.6072                 3.8266
 Frc consts  --      1.8160                 2.4307                 2.6567
 IR Inten    --     87.9063               216.1320                 2.9076
 RamAct Fr= 1--      1.3215                 4.3661                 0.2650
  Dep-P Fr= 1--      0.6145                 0.2412                 0.4047
  Dep-U Fr= 1--      0.7612                 0.3887                 0.5762
 Alpha2 Fr= 1--      0.0033                 0.0530                 0.0019
 Beta2  Fr= 1--      0.1677                 0.2828                 0.0255
 AlphaG Fr= 1--     -0.0110                 0.0035                 0.0008
 Gamma2 Fr= 1--     -0.0290                 0.3894                 0.3799
 Delta2 Fr= 1--      0.0742                 0.2253                 0.4985
 Raman1 Fr= 1--       5.286                 17.465                  1.060
 ROA1   Fr= 1--      -0.412                 44.591                 52.420
 CID1   Fr= 1--      -0.078                  2.553                 49.447
 Raman2 Fr= 1--       2.012                  3.394                  0.305
 ROA2   Fr= 1--      -1.290                  7.542                  5.130
 CID2   Fr= 1--      -0.641                  2.222                 16.795
 Raman3 Fr= 1--       4.024                  6.788                  0.611
 ROA3   Fr= 1--      -0.412                 44.591                 52.420
 CID3   Fr= 1--      -0.102                  6.569                 85.817
 RC180  Fr= 1--       0.522                 -0.223                  0.152
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04   0.02    -0.01   0.05  -0.04     0.02  -0.12   0.08
     2   6    -0.03   0.06   0.00    -0.10  -0.07  -0.01    -0.04   0.03  -0.15
     3   6     0.08  -0.12  -0.07    -0.08  -0.01   0.10     0.06  -0.03  -0.12
     4   6    -0.14  -0.05   0.15     0.06  -0.09  -0.07    -0.02   0.29   0.01
     5   8     0.02   0.08  -0.06     0.16   0.07   0.06     0.02  -0.14   0.08
     6   6     0.04  -0.01  -0.03    -0.17  -0.02  -0.06    -0.11  -0.04   0.05
     7   8    -0.02   0.01   0.00     0.02  -0.02  -0.01    -0.03   0.04   0.01
     8   1    -0.13  -0.11   0.02     0.29   0.23  -0.03    -0.07  -0.09   0.08
     9   8    -0.00   0.01  -0.00     0.09  -0.00   0.04     0.05   0.02   0.03
    10   1    -0.05   0.05   0.00    -0.04  -0.00   0.00    -0.07   0.05  -0.14
    11   1     0.07  -0.02  -0.07     0.01  -0.09   0.10     0.22  -0.11  -0.12
    12   8     0.04   0.06  -0.02    -0.00   0.04  -0.02     0.02  -0.03   0.01
    13   6    -0.04   0.16  -0.01    -0.16   0.13   0.09    -0.14   0.03   0.06
    14   1    -0.29   0.07   0.15     0.39  -0.11  -0.06     0.07   0.36   0.03
    15   8    -0.01  -0.02   0.01    -0.01  -0.01  -0.01     0.04   0.06  -0.03
    16   1     0.11  -0.07  -0.02    -0.15   0.09  -0.05    -0.14  -0.11   0.05
    17   1    -0.01  -0.04  -0.01    -0.02   0.07   0.06    -0.00  -0.06  -0.03
    18   1     0.14  -0.02   0.07    -0.21   0.05  -0.15     0.26  -0.02   0.13
    19   1    -0.29  -0.32   0.23     0.17   0.23  -0.15    -0.11  -0.17   0.10
    20   8     0.09  -0.11  -0.04     0.09  -0.13  -0.07     0.05  -0.06  -0.04
    21   1    -0.08  -0.26  -0.02    -0.08   0.16   0.08    -0.01   0.31   0.06
    22   1    -0.14   0.30   0.31    -0.34   0.15  -0.08     0.07  -0.16  -0.21
    23   1    -0.01  -0.07   0.00     0.08   0.23  -0.00    -0.02  -0.05  -0.02
    24   1    -0.29   0.13   0.19    -0.07  -0.02   0.05     0.28  -0.21  -0.15
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1094.2491              1101.0153              1110.5272
 Red. masses --      3.7391                 2.8179                 3.0851
 Frc consts  --      2.6378                 2.0126                 2.2417
 IR Inten    --    188.6867                14.7454               120.2010
 RamAct Fr= 1--      6.1302                 5.5998                 6.3002
  Dep-P Fr= 1--      0.4932                 0.2344                 0.7370
  Dep-U Fr= 1--      0.6606                 0.3798                 0.8486
 Alpha2 Fr= 1--      0.0312                 0.0693                 0.0014
 Beta2  Fr= 1--      0.6749                 0.3545                 0.8910
 AlphaG Fr= 1--     -0.0333                 0.0152                 0.0007
 Gamma2 Fr= 1--     -0.4282                -0.8239                -0.3338
 Delta2 Fr= 1--     -0.1189                -0.3525                -0.5628
 Raman1 Fr= 1--      24.521                 22.399                 25.201
 ROA1   Fr= 1--     -44.910                -90.378                -50.058
 CID1   Fr= 1--      -1.832                 -4.035                 -1.986
 Raman2 Fr= 1--       8.099                  4.254                 10.692
 ROA2   Fr= 1--      -9.325                -16.954                 -3.509
 CID2   Fr= 1--      -1.151                 -3.986                 -0.328
 Raman3 Fr= 1--      16.198                  8.507                 21.385
 ROA3   Fr= 1--     -44.910                -90.378                -50.058
 CID3   Fr= 1--      -2.773                -10.624                 -2.341
 RC180  Fr= 1--       0.321                 -0.240                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.11  -0.07     0.01   0.04  -0.12    -0.20   0.21   0.00
     2   6     0.12   0.05   0.06    -0.02  -0.02   0.15     0.09  -0.05   0.02
     3   6     0.08   0.17   0.08     0.00  -0.12   0.08     0.16   0.08  -0.02
     4   6     0.14   0.01  -0.06    -0.11   0.08  -0.10    -0.06   0.04   0.03
     5   8    -0.14  -0.07  -0.02    -0.08  -0.05   0.01     0.03  -0.01   0.01
     6   6     0.14   0.01   0.02     0.15  -0.03  -0.05    -0.06   0.01   0.02
     7   8    -0.03   0.02   0.02    -0.01   0.00   0.02     0.07  -0.13  -0.09
     8   1    -0.12  -0.29  -0.07     0.19   0.10  -0.11    -0.27   0.21  -0.01
     9   8    -0.09   0.00  -0.05    -0.02  -0.01  -0.02    -0.02  -0.02  -0.01
    10   1     0.13   0.15   0.05    -0.03   0.23   0.16     0.21  -0.19   0.01
    11   1     0.05   0.19   0.08     0.17  -0.28   0.07     0.47   0.02  -0.01
    12   8    -0.04  -0.08   0.04     0.04   0.07  -0.06    -0.02  -0.07   0.03
    13   6    -0.13   0.13   0.02     0.01   0.03   0.14    -0.01   0.01   0.03
    14   1     0.34  -0.08  -0.04    -0.19   0.16  -0.10    -0.09   0.04   0.03
    15   8     0.00   0.00   0.01    -0.02  -0.01   0.00     0.01   0.01  -0.00
    16   1     0.07  -0.02   0.01     0.19   0.12  -0.06    -0.11   0.03   0.03
    17   1    -0.12   0.28   0.15    -0.01   0.02   0.01    -0.08   0.30   0.19
    18   1     0.11  -0.03   0.09    -0.22   0.03  -0.11    -0.30   0.04  -0.17
    19   1     0.13   0.11  -0.07    -0.12  -0.11   0.08    -0.19  -0.26   0.12
    20   8     0.08  -0.10  -0.06     0.02  -0.02  -0.03     0.01  -0.01  -0.01
    21   1    -0.17   0.03   0.00     0.13   0.34   0.14     0.05   0.05   0.03
    22   1    -0.35   0.24   0.06     0.17  -0.14  -0.17     0.03  -0.02  -0.02
    23   1    -0.05  -0.10   0.01     0.07   0.27   0.01    -0.01  -0.05  -0.00
    24   1    -0.20   0.07   0.12     0.17  -0.12  -0.12     0.02  -0.01   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1116.0466              1141.8687              1158.8695
 Red. masses --      3.7940                 3.8332                 2.8519
 Frc consts  --      2.7843                 2.9447                 2.2566
 IR Inten    --    135.5346                 6.2671                41.1292
 RamAct Fr= 1--      5.6965                 5.2895                 3.1488
  Dep-P Fr= 1--      0.5034                 0.7240                 0.4022
  Dep-U Fr= 1--      0.6696                 0.8399                 0.5737
 Alpha2 Fr= 1--      0.0277                 0.0024                 0.0231
 Beta2  Fr= 1--      0.6358                 0.7405                 0.3011
 AlphaG Fr= 1--     -0.0149                -0.0019                -0.0089
 Gamma2 Fr= 1--      1.1579                -1.3721                 1.5720
 Delta2 Fr= 1--      0.6959                -0.7270                 1.1033
 Raman1 Fr= 1--      22.786                 21.158                 12.595
 ROA1   Fr= 1--     133.433               -154.991                186.213
 CID1   Fr= 1--       5.856                 -7.325                 14.785
 Raman2 Fr= 1--       7.629                  8.886                  3.613
 ROA2   Fr= 1--      22.223                -27.115                 28.901
 CID2   Fr= 1--       2.913                 -3.052                  8.000
 Raman3 Fr= 1--      15.259                 17.771                  7.226
 ROA3   Fr= 1--     133.433               -154.991                186.213
 CID3   Fr= 1--       8.745                 -8.722                 25.771
 RC180  Fr= 1--       0.339                  0.680                  0.147
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.10  -0.00     0.05  -0.08  -0.06     0.04  -0.12  -0.01
     2   6    -0.18  -0.11  -0.05    -0.23   0.00  -0.01     0.13  -0.04  -0.09
     3   6     0.02   0.03  -0.07     0.11   0.25  -0.07     0.01   0.04  -0.00
     4   6     0.08   0.09   0.06    -0.14  -0.08  -0.05    -0.10  -0.06  -0.04
     5   8    -0.09  -0.09  -0.04     0.04   0.03  -0.03     0.07   0.02   0.00
     6   6     0.15   0.24   0.02     0.04  -0.10  -0.03    -0.07   0.22   0.01
     7   8     0.02  -0.01  -0.00    -0.03   0.01   0.02    -0.04   0.04   0.02
     8   1     0.06   0.28  -0.00     0.14  -0.09  -0.07     0.06  -0.18  -0.01
     9   8     0.10   0.00   0.07     0.11   0.01   0.06    -0.05   0.01  -0.02
    10   1    -0.22  -0.27  -0.05    -0.39   0.22   0.01     0.25  -0.10  -0.10
    11   1    -0.08   0.06  -0.07     0.29   0.28  -0.06     0.06   0.06  -0.01
    12   8    -0.02  -0.04   0.02    -0.06  -0.12   0.08     0.00  -0.01   0.01
    13   6    -0.05   0.02  -0.07     0.08   0.00   0.08     0.03   0.03   0.08
    14   1     0.12   0.00   0.07    -0.25  -0.25  -0.06    -0.33  -0.16  -0.04
    15   8    -0.04  -0.14   0.05    -0.01   0.04  -0.02    -0.02  -0.14   0.04
    16   1     0.24   0.40   0.00     0.24  -0.12  -0.03    -0.13   0.54   0.01
    17   1     0.11  -0.29  -0.17    -0.08   0.16   0.14    -0.09   0.20   0.12
    18   1    -0.26   0.08  -0.11     0.03   0.03   0.00     0.06  -0.02   0.05
    19   1    -0.02  -0.04   0.01     0.06   0.01  -0.02    -0.01  -0.02   0.02
    20   8     0.02  -0.02   0.00    -0.01   0.01  -0.01    -0.01  -0.01  -0.02
    21   1    -0.12  -0.12  -0.08     0.15   0.10   0.09    -0.02   0.19   0.09
    22   1    -0.09   0.10   0.09     0.15  -0.06  -0.03     0.23  -0.11  -0.04
    23   1     0.01   0.16   0.07     0.06   0.14  -0.02     0.04   0.23   0.06
    24   1    -0.04   0.01   0.03    -0.03   0.03   0.01     0.14  -0.10  -0.10
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1201.1061              1235.6450              1238.8256
 Red. masses --      1.2908                 1.2449                 1.1876
 Frc consts  --      1.0971                 1.1199                 1.0739
 IR Inten    --     21.5944                22.7025                 7.9979
 RamAct Fr= 1--      0.7131                 3.9814                 3.1584
  Dep-P Fr= 1--      0.5521                 0.7489                 0.3916
  Dep-U Fr= 1--      0.7114                 0.8564                 0.5628
 Alpha2 Fr= 1--      0.0027                 0.0001                 0.0241
 Beta2  Fr= 1--      0.0845                 0.5683                 0.2962
 AlphaG Fr= 1--      0.0041                -0.0018                 0.0006
 Gamma2 Fr= 1--      0.6015                -2.1671                 0.1228
 Delta2 Fr= 1--      0.6619                -0.9474                 0.5054
 Raman1 Fr= 1--       2.852                 15.925                 12.634
 ROA1   Fr= 1--      78.927               -238.359                 27.960
 CID1   Fr= 1--      27.672                -14.967                  2.213
 Raman2 Fr= 1--       1.015                  6.820                  3.555
 ROA2   Fr= 1--       9.141                -44.431                 -1.096
 CID2   Fr= 1--       9.010                 -6.515                 -0.308
 Raman3 Fr= 1--       2.029                 13.639                  7.110
 ROA3   Fr= 1--      78.927               -238.359                 27.960
 CID3   Fr= 1--      38.898                -17.476                  3.933
 RC180  Fr= 1--       0.423                  0.713                  0.126
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06   0.04    -0.03  -0.02   0.06     0.02   0.02  -0.04
     2   6     0.04  -0.02  -0.01     0.01   0.00  -0.01    -0.02   0.00   0.05
     3   6    -0.05  -0.00  -0.06    -0.01  -0.00  -0.01    -0.03  -0.01  -0.03
     4   6    -0.03   0.05   0.05     0.05  -0.04   0.04    -0.00   0.01   0.06
     5   8    -0.00  -0.00  -0.00    -0.02   0.02  -0.02    -0.00   0.00  -0.01
     6   6     0.02  -0.02   0.00     0.03  -0.03  -0.01     0.01   0.01  -0.02
     7   8    -0.01   0.00  -0.01     0.01   0.00  -0.01    -0.02  -0.02   0.00
     8   1     0.36   0.17   0.05    -0.01   0.16   0.07     0.52   0.01  -0.05
     9   8    -0.01  -0.01  -0.00     0.01  -0.02   0.00    -0.01   0.01  -0.01
    10   1     0.07   0.49   0.02     0.07   0.45   0.01    -0.02  -0.37   0.03
    11   1     0.37  -0.15  -0.06    -0.12   0.29  -0.01     0.09  -0.07  -0.03
    12   8    -0.00   0.00   0.01     0.01  -0.00   0.01     0.01   0.00  -0.00
    13   6     0.01  -0.03  -0.05    -0.02   0.06  -0.01    -0.02   0.03  -0.04
    14   1     0.21  -0.10   0.05    -0.02  -0.16   0.04     0.17  -0.23   0.06
    15   8    -0.01  -0.01  -0.01    -0.01   0.01  -0.00     0.01   0.01   0.01
    16   1    -0.08   0.18  -0.00    -0.07  -0.02  -0.01    -0.06  -0.13  -0.02
    17   1    -0.06   0.15   0.10     0.03  -0.08  -0.04    -0.14   0.34   0.22
    18   1    -0.18   0.02  -0.10    -0.25   0.04  -0.14     0.20  -0.03   0.12
    19   1     0.08   0.10  -0.07    -0.06  -0.07   0.05    -0.03  -0.04   0.01
    20   8     0.00   0.01   0.02    -0.01  -0.01  -0.01    -0.01  -0.00   0.01
    21   1     0.21  -0.23  -0.05    -0.40   0.18  -0.01    -0.15  -0.00  -0.04
    22   1    -0.15   0.07   0.04     0.38  -0.12   0.04     0.26  -0.08   0.05
    23   1     0.07   0.22  -0.00     0.02   0.03  -0.01    -0.08  -0.21   0.01
    24   1    -0.12   0.09   0.08     0.28  -0.20  -0.17     0.18  -0.12  -0.11
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1259.9350              1279.2518              1317.8586
 Red. masses --      1.1653                 1.3214                 1.2185
 Frc consts  --      1.0899                 1.2741                 1.2469
 IR Inten    --     18.6768                54.2007                 5.6650
 RamAct Fr= 1--      3.3685                 2.6307                 2.2852
  Dep-P Fr= 1--      0.4397                 0.2010                 0.7479
  Dep-U Fr= 1--      0.6109                 0.3347                 0.8558
 Alpha2 Fr= 1--      0.0215                 0.0356                 0.0001
 Beta2  Fr= 1--      0.3430                 0.1468                 0.3259
 AlphaG Fr= 1--      0.0451                 0.0059                -0.0000
 Gamma2 Fr= 1--      0.5072                -0.8434                -0.2476
 Delta2 Fr= 1--     -0.2075                -0.9633                -0.1752
 Raman1 Fr= 1--      13.474                 10.523                  9.141
 ROA1   Fr= 1--      42.051               -111.795                -29.376
 CID1   Fr= 1--       3.121                -10.624                 -3.214
 Raman2 Fr= 1--       4.115                  1.761                  3.911
 ROA2   Fr= 1--      13.832                -12.536                 -4.541
 CID2   Fr= 1--       3.361                 -7.119                 -1.161
 Raman3 Fr= 1--       8.231                  3.522                  7.823
 ROA3   Fr= 1--      42.051               -111.795                -29.376
 CID3   Fr= 1--       5.109                -31.742                 -3.755
 RC180  Fr= 1--       0.222                 -0.331                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.04     0.00  -0.04   0.01     0.03   0.02   0.01
     2   6     0.01  -0.02   0.00    -0.05   0.07   0.03     0.01   0.02  -0.01
     3   6    -0.03  -0.01  -0.03    -0.01  -0.00  -0.03    -0.01   0.00   0.01
     4   6     0.02  -0.01  -0.07    -0.01   0.01  -0.03    -0.04  -0.03  -0.00
     5   8    -0.01  -0.00   0.02     0.01  -0.02   0.02    -0.01  -0.01  -0.02
     6   6     0.00  -0.02   0.02    -0.03   0.08  -0.06    -0.07  -0.02   0.07
     7   8    -0.01  -0.02  -0.02    -0.00   0.01   0.01    -0.01  -0.00   0.00
     8   1     0.29   0.16   0.04     0.22  -0.04   0.00    -0.05  -0.24  -0.01
     9   8    -0.01   0.01  -0.00     0.01  -0.03  -0.01     0.00  -0.01  -0.00
    10   1    -0.10  -0.01   0.00     0.59   0.01   0.05     0.14  -0.03  -0.00
    11   1    -0.34   0.50  -0.04     0.02   0.21  -0.04    -0.00  -0.01   0.01
    12   8     0.03  -0.01   0.00     0.00  -0.00   0.01     0.00   0.00  -0.00
    13   6     0.01  -0.03   0.02     0.01  -0.02   0.02    -0.01   0.03  -0.04
    14   1     0.02   0.22  -0.07    -0.05   0.14  -0.03     0.41   0.23   0.00
    15   8    -0.00  -0.00  -0.01     0.01  -0.00   0.03     0.00  -0.01  -0.02
    16   1    -0.00   0.12   0.02     0.16  -0.30  -0.04     0.71   0.05   0.08
    17   1    -0.09   0.21   0.14     0.01  -0.05  -0.02    -0.03   0.07   0.05
    18   1     0.11  -0.02   0.06    -0.37   0.05  -0.20    -0.07   0.01  -0.03
    19   1    -0.28  -0.35   0.22    -0.02  -0.03   0.02    -0.02  -0.03   0.02
    20   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01   0.00   0.01
    21   1     0.06   0.01   0.01     0.09  -0.00   0.02     0.05  -0.11  -0.04
    22   1    -0.18   0.04  -0.05    -0.09   0.01  -0.03     0.21  -0.04   0.05
    23   1     0.04   0.15  -0.00    -0.12  -0.40   0.01     0.10   0.25  -0.01
    24   1    -0.12   0.08   0.07    -0.08   0.06   0.05     0.10  -0.07  -0.07
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1320.6059              1345.3082              1359.0493
 Red. masses --      1.2621                 1.2460                 1.2546
 Frc consts  --      1.2969                 1.3286                 1.3653
 IR Inten    --     33.3439                53.1275                11.3336
 RamAct Fr= 1--      2.1732                 1.9908                 1.2874
  Dep-P Fr= 1--      0.7499                 0.5521                 0.2535
  Dep-U Fr= 1--      0.8571                 0.7114                 0.4044
 Alpha2 Fr= 1--      0.0000                 0.0075                 0.0151
 Beta2  Fr= 1--      0.3104                 0.2361                 0.0868
 AlphaG Fr= 1--      0.0001                 0.0029                 0.0099
 Gamma2 Fr= 1--      2.0438                -0.5098                -0.3494
 Delta2 Fr= 1--      0.6435                 0.7259                -0.2218
 Raman1 Fr= 1--       8.693                  7.963                  5.150
 ROA1   Fr= 1--     216.798                -25.711                -40.643
 CID1   Fr= 1--      24.940                 -3.229                 -7.892
 Raman2 Fr= 1--       3.725                  2.833                  1.041
 ROA2   Fr= 1--      43.904                -18.041                 -6.612
 CID2   Fr= 1--      11.785                 -6.369                 -6.350
 Raman3 Fr= 1--       7.451                  5.665                  2.083
 ROA3   Fr= 1--     216.798                -25.711                -40.643
 CID3   Fr= 1--      29.098                 -4.538                -19.516
 RC180  Fr= 1--       0.714                  0.423                 -0.191
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.02    -0.07  -0.05  -0.05     0.00   0.02  -0.02
     2   6    -0.00   0.01  -0.02    -0.03  -0.04   0.04     0.04  -0.01  -0.01
     3   6    -0.03   0.04   0.07    -0.02  -0.01   0.01    -0.02  -0.02  -0.02
     4   6    -0.07   0.03  -0.04    -0.00  -0.02   0.00    -0.01  -0.08  -0.02
     5   8     0.02  -0.00   0.01     0.00   0.00  -0.01    -0.00  -0.00   0.04
     6   6     0.02   0.02  -0.02    -0.01  -0.02   0.02     0.03   0.02  -0.05
     7   8     0.01   0.02   0.01     0.02   0.02   0.01     0.00   0.00   0.01
     8   1    -0.16  -0.13  -0.02    -0.01   0.47  -0.02     0.01  -0.17  -0.04
     9   8     0.00  -0.00   0.01    -0.02   0.04  -0.03     0.00  -0.00   0.02
    10   1    -0.03   0.02  -0.02     0.31  -0.10   0.06    -0.36   0.05  -0.03
    11   1     0.02   0.13   0.07     0.36   0.31  -0.01     0.29   0.24  -0.04
    12   8     0.04  -0.00  -0.02    -0.00  -0.00   0.02    -0.01   0.00   0.02
    13   6    -0.02   0.01  -0.02     0.00   0.01  -0.00    -0.01   0.05  -0.02
    14   1     0.49  -0.43  -0.03     0.05   0.08  -0.00     0.11   0.62  -0.02
    15   8     0.00  -0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.02
    16   1    -0.25  -0.03  -0.03     0.12   0.13   0.02    -0.26   0.04  -0.05
    17   1     0.09  -0.21  -0.13     0.13  -0.31  -0.19     0.01  -0.01  -0.01
    18   1    -0.04   0.01  -0.02     0.42  -0.06   0.21    -0.07   0.01  -0.04
    19   1    -0.26  -0.33   0.20     0.03   0.03  -0.02     0.08   0.10  -0.05
    20   8     0.00   0.01   0.02    -0.00  -0.00   0.00    -0.02  -0.01   0.02
    21   1     0.28  -0.18  -0.02     0.01  -0.02  -0.00     0.19  -0.16  -0.02
    22   1     0.12  -0.04   0.02     0.03   0.00   0.01     0.10   0.03   0.07
    23   1    -0.03  -0.08   0.00    -0.00   0.03   0.00    -0.06  -0.20   0.01
    24   1     0.02  -0.01  -0.02     0.04  -0.03  -0.02     0.18  -0.13  -0.11
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1369.1088              1385.6796              1402.7508
 Red. masses --      1.2764                 1.2550                 1.4008
 Frc consts  --      1.4097                 1.4198                 1.6240
 IR Inten    --      1.5876                23.2594                 5.5738
 RamAct Fr= 1--      2.9181                 4.9857                 2.7480
  Dep-P Fr= 1--      0.5528                 0.7351                 0.7497
  Dep-U Fr= 1--      0.7120                 0.8474                 0.8569
 Alpha2 Fr= 1--      0.0110                 0.0013                 0.0000
 Beta2  Fr= 1--      0.3463                 0.7041                 0.3925
 AlphaG Fr= 1--     -0.0134                 0.0136                 0.0006
 Gamma2 Fr= 1--     -0.1400                -0.3384                 0.2761
 Delta2 Fr= 1--     -0.0639                -1.1285                -0.8493
 Raman1 Fr= 1--      11.672                 19.943                 10.992
 ROA1   Fr= 1--     -15.489                -68.598                 -0.673
 CID1   Fr= 1--      -1.327                 -3.440                 -0.061
 Raman2 Fr= 1--       4.155                  8.449                  4.710
 ROA2   Fr= 1--      -2.849                  0.907                 13.420
 CID2   Fr= 1--      -0.686                  0.107                  2.850
 Raman3 Fr= 1--       8.311                 16.899                  9.419
 ROA3   Fr= 1--     -15.489                -68.598                 -0.673
 CID3   Fr= 1--      -1.864                 -4.059                 -0.071
 RC180  Fr= 1--       0.424                  0.695                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.04   0.04    -0.01   0.01   0.00     0.02   0.02  -0.00
     2   6    -0.03  -0.04   0.03    -0.03   0.05  -0.01     0.05  -0.08   0.03
     3   6     0.07   0.04   0.00     0.02  -0.02  -0.01    -0.06  -0.00   0.01
     4   6    -0.03  -0.02  -0.02     0.05   0.01  -0.02     0.06   0.04  -0.01
     5   8     0.00  -0.01   0.01    -0.01   0.01  -0.01     0.01  -0.01  -0.02
     6   6     0.00   0.02  -0.04     0.03  -0.03   0.06    -0.08   0.07  -0.05
     7   8    -0.01  -0.01  -0.03    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.20   0.49   0.08     0.08  -0.09  -0.01    -0.06  -0.02  -0.00
     9   8    -0.00   0.01  -0.01     0.00  -0.01  -0.00    -0.01   0.01   0.00
    10   1     0.10   0.18   0.04     0.24  -0.20  -0.01    -0.35   0.31   0.02
    11   1    -0.45  -0.33   0.02    -0.08   0.11  -0.01     0.18   0.08   0.00
    12   8    -0.01  -0.00  -0.01    -0.01  -0.00   0.01     0.01  -0.00  -0.00
    13   6    -0.03   0.04  -0.01    -0.02   0.06  -0.00    -0.00   0.01   0.01
    14   1     0.09   0.14  -0.02    -0.31  -0.16  -0.03    -0.31  -0.28  -0.02
    15   8     0.00   0.01   0.02    -0.01  -0.01  -0.03     0.01   0.00   0.01
    16   1     0.02   0.06  -0.04    -0.18  -0.10   0.06     0.46  -0.25  -0.03
    17   1    -0.08   0.18   0.11     0.00  -0.01  -0.01    -0.01   0.02   0.02
    18   1     0.12  -0.02   0.06    -0.07   0.01  -0.04     0.11  -0.02   0.06
    19   1     0.03   0.04  -0.02     0.05   0.06  -0.04    -0.08  -0.11   0.06
    20   8    -0.01  -0.00   0.02    -0.03  -0.02   0.03    -0.02  -0.01   0.01
    21   1     0.32  -0.17  -0.01     0.44  -0.23  -0.01     0.17  -0.07   0.00
    22   1     0.10   0.01   0.07    -0.17   0.18   0.12    -0.22   0.14   0.04
    23   1    -0.07  -0.22   0.01     0.10   0.32  -0.02    -0.06  -0.20   0.01
    24   1     0.13  -0.09  -0.08     0.34  -0.26  -0.20     0.18  -0.14  -0.10
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1418.0310              1429.9965              1432.6526
 Red. masses --      1.5647                 1.4603                 1.2582
 Frc consts  --      1.8538                 1.7594                 1.5215
 IR Inten    --      7.4739                42.1373                42.1955
 RamAct Fr= 1--      4.7518                 2.2060                 0.8327
  Dep-P Fr= 1--      0.7416                 0.6476                 0.7417
  Dep-U Fr= 1--      0.8516                 0.7861                 0.8517
 Alpha2 Fr= 1--      0.0007                 0.0041                 0.0001
 Beta2  Fr= 1--      0.6745                 0.2890                 0.1182
 AlphaG Fr= 1--     -0.0032                -0.0117                -0.0036
 Gamma2 Fr= 1--      0.5981                -0.6638                 0.0700
 Delta2 Fr= 1--      0.5669                 0.1244                 0.1583
 Raman1 Fr= 1--      19.007                  8.824                  3.331
 ROA1   Fr= 1--      75.553                -59.742                 11.784
 CID1   Fr= 1--       3.975                 -6.771                  3.538
 Raman2 Fr= 1--       8.093                  3.468                  1.419
 ROA2   Fr= 1--       9.818                -16.927                  0.414
 CID2   Fr= 1--       1.213                 -4.880                  0.292
 Raman3 Fr= 1--      16.187                  6.937                  2.837
 ROA3   Fr= 1--      75.553                -59.742                 11.784
 CID3   Fr= 1--       4.668                 -8.613                  4.154
 RC180  Fr= 1--       0.703                  0.572                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10   0.08   0.02     0.09   0.06   0.01    -0.03   0.04   0.01
     2   6    -0.10  -0.08  -0.02    -0.03  -0.05  -0.00    -0.01   0.01  -0.02
     3   6    -0.09   0.04   0.00    -0.00  -0.10   0.00     0.02  -0.02  -0.00
     4   6     0.02  -0.02   0.01     0.02   0.02  -0.00     0.03   0.03  -0.00
     5   8    -0.00   0.00   0.01    -0.00   0.00  -0.01    -0.00   0.01  -0.01
     6   6     0.04  -0.02   0.00     0.02   0.02   0.01    -0.02  -0.10  -0.04
     7   8    -0.01  -0.02  -0.01    -0.02  -0.02  -0.02     0.00   0.00   0.01
     8   1    -0.24  -0.31   0.00    -0.30  -0.08   0.01     0.15  -0.26  -0.02
     9   8    -0.00   0.02  -0.02    -0.00   0.01  -0.01     0.01  -0.00   0.00
    10   1     0.50   0.26   0.03     0.14   0.13   0.02     0.07   0.02  -0.02
    11   1     0.22  -0.17   0.01     0.09   0.41  -0.02    -0.09   0.05  -0.00
    12   8     0.02  -0.01  -0.01    -0.02   0.01   0.02    -0.01  -0.00   0.00
    13   6     0.06   0.00  -0.01    -0.10  -0.01   0.01    -0.03   0.00   0.00
    14   1     0.00   0.15   0.01    -0.09  -0.16   0.00    -0.13  -0.16  -0.01
    15   8    -0.00   0.01   0.00    -0.00  -0.00  -0.01     0.01   0.03   0.05
    16   1    -0.22   0.12  -0.01    -0.07  -0.10   0.01     0.16   0.78  -0.08
    17   1    -0.06   0.14   0.10    -0.10   0.23   0.13     0.02  -0.05  -0.03
    18   1     0.20  -0.03   0.11     0.09  -0.01   0.05     0.01  -0.00  -0.00
    19   1    -0.14  -0.18   0.11     0.14   0.19  -0.11     0.03   0.03  -0.02
    20   8    -0.02  -0.01   0.00     0.03   0.02  -0.01     0.00  -0.00   0.00
    21   1    -0.23   0.05  -0.01     0.28  -0.05   0.01     0.14  -0.03   0.00
    22   1    -0.23   0.15   0.01     0.38  -0.27  -0.04     0.03  -0.02   0.02
    23   1    -0.01  -0.02   0.00     0.02   0.05  -0.01    -0.13  -0.38   0.03
    24   1     0.13  -0.10  -0.07    -0.26   0.21   0.15     0.01  -0.01  -0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1438.1514              1447.6124              1502.5198
 Red. masses --      1.4296                 1.7654                 1.0860
 Frc consts  --      1.7422                 2.1797                 1.4446
 IR Inten    --      9.7364                23.8135                 2.1214
 RamAct Fr= 1--      2.2589                 3.4244                 5.0039
  Dep-P Fr= 1--      0.1883                 0.6917                 0.7493
  Dep-U Fr= 1--      0.3169                 0.8178                 0.8567
 Alpha2 Fr= 1--      0.0316                 0.0035                 0.0001
 Beta2  Fr= 1--      0.1193                 0.4667                 0.7145
 AlphaG Fr= 1--      0.0034                 0.0003                 0.0007
 Gamma2 Fr= 1--      0.5860                 0.5629                 0.3912
 Delta2 Fr= 1--      0.4585                -0.1680                 0.5128
 Raman1 Fr= 1--       9.036                 13.697                 20.016
 ROA1   Fr= 1--      70.923                 48.662                 53.966
 CID1   Fr= 1--       7.849                  3.553                  2.696
 Raman2 Fr= 1--       1.432                  5.601                  8.574
 ROA2   Fr= 1--      10.395                 14.854                  5.287
 CID2   Fr= 1--       7.261                  2.652                  0.617
 Raman3 Fr= 1--       2.863                 11.201                 17.147
 ROA3   Fr= 1--      70.923                 48.662                 53.966
 CID3   Fr= 1--      24.771                  4.344                  3.147
 RC180  Fr= 1--      -0.366                  0.636                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.03   0.01    -0.07   0.07   0.01     0.00   0.00   0.00
     2   6    -0.01  -0.07  -0.00    -0.01  -0.10  -0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.08  -0.01     0.13  -0.08  -0.01     0.00  -0.00   0.00
     4   6     0.06  -0.06   0.00    -0.11   0.04  -0.01    -0.01  -0.00  -0.00
     5   8    -0.00   0.00   0.00     0.01  -0.01   0.01     0.00   0.00   0.00
     6   6     0.00   0.03   0.01    -0.00   0.04  -0.01    -0.00   0.00   0.00
     7   8     0.02   0.02   0.02     0.00   0.01   0.01    -0.00  -0.00  -0.00
     8   1     0.40  -0.29  -0.03     0.26  -0.34  -0.03    -0.01  -0.00   0.00
     9   8    -0.01   0.02  -0.01    -0.01   0.02  -0.01    -0.00   0.00  -0.00
    10   1     0.10   0.21   0.02     0.09   0.31   0.03     0.00   0.00  -0.00
    11   1    -0.11  -0.34   0.01    -0.38   0.23  -0.00    -0.00   0.02  -0.00
    12   8     0.01  -0.01  -0.01    -0.04   0.00   0.02    -0.00   0.00   0.00
    13   6    -0.08   0.00   0.00     0.07   0.00   0.00    -0.02  -0.06  -0.05
    14   1    -0.21   0.18  -0.00     0.29  -0.09  -0.01     0.07   0.01  -0.00
    15   8    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    16   1    -0.05  -0.20   0.02    -0.04  -0.18  -0.00    -0.00  -0.01   0.00
    17   1     0.09  -0.23  -0.13     0.04  -0.09  -0.06    -0.00   0.00   0.00
    18   1     0.18  -0.02   0.09     0.23  -0.03   0.11     0.00  -0.00   0.00
    19   1    -0.11  -0.14   0.08     0.20   0.26  -0.15     0.01   0.01  -0.01
    20   8     0.02   0.01  -0.01    -0.01  -0.01   0.00     0.00  -0.01  -0.00
    21   1     0.24  -0.03   0.01    -0.18   0.01  -0.00     0.23   0.65  -0.01
    22   1     0.32  -0.19   0.02    -0.20   0.12  -0.03     0.01   0.19   0.69
    23   1     0.03   0.09  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    24   1    -0.16   0.13   0.09     0.09  -0.08  -0.06    -0.01  -0.00  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   2973.5714              2980.3982              2986.5567
 Red. masses --      1.0815                 1.0794                 1.0734
 Frc consts  --      5.6340                 5.6490                 5.6408
 IR Inten    --      8.3396                 5.9712                26.5340
 RamAct Fr= 1--     61.6387                87.6006               237.2856
  Dep-P Fr= 1--      0.1565                 0.1702                 0.1262
  Dep-U Fr= 1--      0.2706                 0.2909                 0.2241
 Alpha2 Fr= 1--      0.9374                 1.2860                 3.8947
 Beta2  Fr= 1--      2.7797                 4.2470                 8.8608
 AlphaG Fr= 1--      0.1536                 0.0868                 0.4154
 Gamma2 Fr= 1--      1.3724                 7.1286                -8.8753
 Delta2 Fr= 1--     -0.1898                 6.9360               -10.3264
 Raman1 Fr= 1--     246.555                350.403                949.142
 ROA1   Fr= 1--     125.676                906.295              -1182.476
 CID1   Fr= 1--       0.510                  2.586                 -1.246
 Raman2 Fr= 1--      33.356                 50.964                106.329
 ROA2   Fr= 1--      34.456                115.599               -130.397
 CID2   Fr= 1--       1.033                  2.268                 -1.226
 Raman3 Fr= 1--      66.712                101.929                212.658
 ROA3   Fr= 1--     125.676                906.295              -1182.476
 CID3   Fr= 1--       1.884                  8.891                 -5.560
 RC180  Fr= 1--      -0.459                 -0.418                 -0.552
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.02     0.00  -0.00   0.04     0.00  -0.00   0.01
     2   6     0.01   0.00  -0.08     0.00   0.00  -0.01     0.00   0.00  -0.01
     3   6     0.00   0.00   0.02    -0.00  -0.00  -0.06    -0.00  -0.00  -0.02
     4   6     0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00   0.00   0.04
     5   8     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00   0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   1    -0.01   0.01  -0.21    -0.02   0.03  -0.54    -0.00   0.01  -0.09
     9   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   1    -0.04  -0.04   0.91    -0.01  -0.01   0.13    -0.00  -0.00   0.08
    11   1    -0.01  -0.01  -0.29     0.02   0.02   0.77     0.00   0.01   0.23
    12   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   6     0.00  -0.00  -0.00     0.00   0.00   0.02    -0.01  -0.00  -0.06
    14   1    -0.00  -0.00   0.09    -0.00   0.00  -0.04     0.01  -0.00  -0.45
    15   8    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    16   1     0.00  -0.00  -0.13    -0.00   0.00   0.03    -0.00   0.00   0.02
    17   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   1    -0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    19   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    20   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    21   1    -0.00  -0.00   0.01     0.01   0.01  -0.30    -0.02  -0.03   0.84
    22   1     0.00   0.00  -0.00    -0.02  -0.04   0.02     0.05   0.11  -0.05
    23   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    24   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   2994.6264              3010.0398              3022.0048
 Red. masses --      1.0835                 1.0838                 1.0861
 Frc consts  --      5.7247                 5.7858                 5.8441
 IR Inten    --      7.4154                48.7311                99.2492
 RamAct Fr= 1--      6.8190                 8.9271                68.1326
  Dep-P Fr= 1--      0.3474                 0.3542                 0.1729
  Dep-U Fr= 1--      0.5157                 0.5231                 0.2949
 Alpha2 Fr= 1--      0.0604                 0.0773                 0.9932
 Beta2  Fr= 1--      0.5861                 0.7782                 3.3487
 AlphaG Fr= 1--      0.0805                -0.2430                -0.5946
 Gamma2 Fr= 1--     -0.9352                -0.0485                -1.8550
 Delta2 Fr= 1--     -0.5970                 1.0821                 0.9220
 Raman1 Fr= 1--      27.276                 35.708                272.531
 ROA1   Fr= 1--    -108.885                 29.971               -148.573
 CID1   Fr= 1--      -3.992                  0.839                 -0.545
 Raman2 Fr= 1--       7.033                  9.339                 40.184
 ROA2   Fr= 1--     -17.669                 -9.822                -51.896
 CID2   Fr= 1--      -2.512                 -1.052                 -1.291
 Raman3 Fr= 1--      14.065                 18.678                 80.368
 ROA3   Fr= 1--    -108.885                 29.971               -148.573
 CID3   Fr= 1--      -7.741                  1.605                 -1.849
 RC180  Fr= 1--       0.031                  0.046                 -0.410
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.06    -0.00   0.00  -0.02    -0.00   0.00  -0.02
     2   6     0.00   0.00  -0.02     0.00   0.00  -0.00     0.00   0.00  -0.02
     3   6    -0.00  -0.00  -0.03    -0.00  -0.00  -0.03    -0.00  -0.00  -0.01
     4   6    -0.00   0.00   0.03     0.00  -0.00  -0.06     0.00  -0.00  -0.02
     5   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.02    -0.00   0.00   0.03     0.00  -0.00  -0.07
     7   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1     0.02  -0.05   0.72     0.01  -0.01   0.22     0.01  -0.02   0.26
     9   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   1    -0.01  -0.02   0.29    -0.00  -0.00   0.03    -0.01  -0.01   0.21
    11   1     0.01   0.01   0.36     0.01   0.01   0.34     0.01   0.01   0.16
    12   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.02    -0.00  -0.01  -0.02    -0.00  -0.00  -0.01
    14   1     0.01   0.00  -0.39    -0.01   0.01   0.74    -0.01  -0.00   0.27
    15   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   1    -0.00  -0.01  -0.21     0.01  -0.01  -0.40    -0.01   0.03   0.88
    17   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    20   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    21   1     0.00   0.01  -0.24    -0.00  -0.01   0.32     0.00  -0.00   0.08
    22   1    -0.02  -0.05   0.02     0.03   0.08  -0.03     0.01   0.03  -0.01
    23   1     0.00  -0.00   0.00     0.00   0.00   0.01    -0.00  -0.01  -0.01
    24   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3120.3401              3758.1687              3779.2006
 Red. masses --      1.0918                 1.0650                 1.0659
 Frc consts  --      6.2634                 8.8623                 8.9691
 IR Inten    --      9.5646                35.2836                62.6297
 RamAct Fr= 1--     75.0059                73.1924                51.4107
  Dep-P Fr= 1--      0.2852                 0.1526                 0.1973
  Dep-U Fr= 1--      0.4438                 0.2649                 0.3296
 Alpha2 Fr= 1--      0.8038                 1.1239                 0.7032
 Beta2  Fr= 1--      5.5478                 3.2309                 2.8238
 AlphaG Fr= 1--      0.3895                -0.2151                -0.2757
 Gamma2 Fr= 1--      2.7076                -2.8799                -2.1990
 Delta2 Fr= 1--      2.3212                -0.9631                 1.4751
 Raman1 Fr= 1--     300.024                292.770                205.643
 ROA1   Fr= 1--     334.208               -307.290               -163.898
 CID1   Fr= 1--       1.114                 -1.050                 -0.797
 Raman2 Fr= 1--      66.573                 38.770                 33.886
 ROA2   Fr= 1--      46.413                -61.413                -64.576
 CID2   Fr= 1--       0.697                 -1.584                 -1.906
 Raman3 Fr= 1--     133.147                 77.541                 67.772
 ROA3   Fr= 1--     334.208               -307.290               -163.898
 CID3   Fr= 1--       2.510                 -3.963                 -2.418
 RC180  Fr= 1--      -0.112                 -0.470                 -0.341
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   8    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    10   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    11   1     0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.04  -0.04  -0.01
    13   6    -0.04  -0.07   0.04     0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.04    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   8    -0.00  -0.00   0.00    -0.01   0.00  -0.06    -0.00   0.00  -0.00
    16   1    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.00
    17   1     0.00   0.00   0.00     0.01   0.00   0.00     0.02   0.00   0.00
    18   1     0.00  -0.00   0.00    -0.02  -0.04   0.01    -0.00  -0.01   0.00
    19   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.66   0.70   0.17
    20   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.01   0.00
    21   1    -0.01  -0.00  -0.15    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   1     0.41   0.84  -0.29    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    23   1     0.00   0.00  -0.00     0.14  -0.07   0.98     0.00  -0.00   0.00
    24   1    -0.01  -0.01   0.01    -0.00  -0.00   0.00     0.09   0.18  -0.04
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3780.0707              3781.5602              3791.8308
 Red. masses --      1.0655                 1.0659                 1.0660
 Frc consts  --      8.9706                 8.9803                 9.0302
 IR Inten    --     18.8509                50.4122                59.1578
 RamAct Fr= 1--     66.0947                81.6316                92.4611
  Dep-P Fr= 1--      0.1063                 0.2051                 0.1711
  Dep-U Fr= 1--      0.1922                 0.3403                 0.2922
 Alpha2 Fr= 1--      1.1394                 1.0938                 1.3543
 Beta2  Fr= 1--      2.1176                 4.6302                 4.5027
 AlphaG Fr= 1--      0.0551                -0.3658                 0.4549
 Gamma2 Fr= 1--      1.6129                 0.1613                 2.2185
 Delta2 Fr= 1--     -0.9936                 1.9185                -0.6102
 Raman1 Fr= 1--     264.379                326.526                369.845
 ROA1   Fr= 1--     123.039                 76.879                193.447
 CID1   Fr= 1--       0.465                  0.235                  0.523
 Raman2 Fr= 1--      25.411                 55.563                 54.032
 ROA2   Fr= 1--      46.657                -11.476                 58.124
 CID2   Fr= 1--       1.836                 -0.207                  1.076
 Raman3 Fr= 1--      50.821                111.125                108.064
 ROA3   Fr= 1--     123.039                 76.879                193.447
 CID3   Fr= 1--       2.421                  0.692                  1.790
 RC180  Fr= 1--      -0.616                 -0.319                 -0.416
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     5   8    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     7   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.06  -0.01  -0.02
     8   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   8     0.00   0.00  -0.00    -0.02  -0.06   0.01    -0.00  -0.00   0.00
    10   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   8    -0.01   0.01   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    16   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    17   1    -0.00  -0.00  -0.00    -0.04  -0.01  -0.01     0.95   0.15   0.27
    18   1    -0.01  -0.03   0.01     0.29   0.94  -0.17     0.01   0.04  -0.01
    19   1     0.14  -0.15  -0.03    -0.01   0.01   0.00     0.01  -0.01  -0.00
    20   8    -0.03  -0.05   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    22   1     0.01   0.01  -0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   1    -0.00   0.00   0.00     0.01  -0.00   0.05    -0.00   0.00  -0.00
    24   1     0.44   0.85  -0.17     0.02   0.03  -0.01     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  8 and mass  15.99491
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  8 and mass  15.99491
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Molecular mass:   180.06339 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1545.434132279.252613659.41250
           X            0.99995   0.00995   0.00294
           Y           -0.00994   0.99995  -0.00260
           Z           -0.00297   0.00257   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05605     0.03800     0.02367
 Rotational constants (GHZ):           1.16779     0.79181     0.49318
 Zero-point vibrational energy     516584.0 (Joules/Mol)
                                  123.46654 (Kcal/Mol)
 Warning -- explicit consideration of  21 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    102.08   148.99   168.74   212.58   272.14
          (Kelvin)            336.83   349.18   394.88   434.16   465.14
                              495.13   542.27   563.95   567.10   591.80
                              595.80   610.45   644.05   708.30   826.29
                              865.47   912.17   921.28  1276.78  1433.95
                             1459.82  1470.66  1515.51  1538.68  1561.85
                             1574.38  1584.12  1597.80  1605.74  1642.89
                             1667.35  1728.12  1777.82  1782.39  1812.77
                             1840.56  1896.10  1900.06  1935.60  1955.37
                             1969.84  1993.68  2018.25  2040.23  2057.45
                             2061.27  2069.18  2082.79  2161.79  4278.31
                             4288.13  4296.99  4308.60  4330.78  4347.99
                             4489.47  5407.17  5437.43  5438.68  5440.82
                             5455.60
 
 Zero-point correction=                           0.196756 (Hartree/Particle)
 Thermal correction to Energy=                    0.209185
 Thermal correction to Enthalpy=                  0.210129
 Thermal correction to Gibbs Free Energy=         0.159089
 Sum of electronic and zero-point Energies=           -687.312796
 Sum of electronic and thermal Energies=              -687.300367
 Sum of electronic and thermal Enthalpies=            -687.299423
 Sum of electronic and thermal Free Energies=         -687.350464
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  131.266             47.610            107.424
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.471
 Rotational               0.889              2.981             30.934
 Vibrational            129.488             41.648             35.019
 Vibration     1          0.598              1.968              4.127
 Vibration     2          0.605              1.946              3.386
 Vibration     3          0.608              1.935              3.145
 Vibration     4          0.617              1.905              2.701
 Vibration     5          0.633              1.855              2.236
 Vibration     6          0.654              1.789              1.847
 Vibration     7          0.659              1.775              1.783
 Vibration     8          0.677              1.721              1.568
 Vibration     9          0.694              1.670              1.407
 Vibration    10          0.708              1.629              1.293
 Vibration    11          0.723              1.587              1.193
 Vibration    12          0.747              1.519              1.052
 Vibration    13          0.759              1.487              0.993
 Vibration    14          0.761              1.483              0.984
 Vibration    15          0.775              1.446              0.922
 Vibration    16          0.778              1.440              0.912
 Vibration    17          0.786              1.417              0.878
 Vibration    18          0.807              1.366              0.803
 Vibration    19          0.848              1.267              0.678
 Vibration    20          0.931              1.087              0.496
 Vibration    21          0.960              1.029              0.447
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.667206D-73        -73.175740       -168.493368
 Total V=0       0.211771D+18         17.325866         39.894282
 Vib (Bot)       0.546632D-87        -87.262305       -200.928882
 Vib (Bot)    1  0.290648D+01          0.463367          1.066942
 Vib (Bot)    2  0.198042D+01          0.296756          0.683306
 Vib (Bot)    3  0.174351D+01          0.241424          0.555899
 Vib (Bot)    4  0.137324D+01          0.137747          0.317175
 Vib (Bot)    5  0.105843D+01          0.024664          0.056791
 Vib (Bot)    6  0.839792D+00         -0.075828         -0.174601
 Vib (Bot)    7  0.806931D+00         -0.093164         -0.214517
 Vib (Bot)    8  0.702555D+00         -0.153319         -0.353031
 Vib (Bot)    9  0.629603D+00         -0.200933         -0.462665
 Vib (Bot)   10  0.580327D+00         -0.236327         -0.544164
 Vib (Bot)   11  0.538157D+00         -0.269091         -0.619604
 Vib (Bot)   12  0.480763D+00         -0.318069         -0.732380
 Vib (Bot)   13  0.457381D+00         -0.339722         -0.782238
 Vib (Bot)   14  0.454128D+00         -0.342822         -0.789377
 Vib (Bot)   15  0.429705D+00         -0.366830         -0.844657
 Vib (Bot)   16  0.425925D+00         -0.370667         -0.853492
 Vib (Bot)   17  0.412487D+00         -0.384590         -0.885550
 Vib (Bot)   18  0.383828D+00         -0.415864         -0.957562
 Vib (Bot)   19  0.336126D+00         -0.473498         -1.090270
 Vib (Bot)   20  0.266848D+00         -0.573737         -1.321078
 Vib (Bot)   21  0.247840D+00         -0.605828         -1.394972
 Vib (V=0)       0.173501D+04          3.239302          7.458768
 Vib (V=0)    1  0.344917D+01          0.537715          1.238134
 Vib (V=0)    2  0.254256D+01          0.405271          0.933171
 Vib (V=0)    3  0.231379D+01          0.364323          0.838885
 Vib (V=0)    4  0.196144D+01          0.292574          0.673677
 Vib (V=0)    5  0.167059D+01          0.222870          0.513178
 Vib (V=0)    6  0.147737D+01          0.169489          0.390263
 Vib (V=0)    7  0.144928D+01          0.161153          0.371069
 Vib (V=0)    8  0.136231D+01          0.134277          0.309184
 Vib (V=0)    9  0.130399D+01          0.115274          0.265429
 Vib (V=0)   10  0.126602D+01          0.102439          0.235874
 Vib (V=0)   11  0.123458D+01          0.091521          0.210734
 Vib (V=0)   12  0.119364D+01          0.076873          0.177006
 Vib (V=0)   13  0.117764D+01          0.071013          0.163513
 Vib (V=0)   14  0.117545D+01          0.070204          0.161651
 Vib (V=0)   15  0.115928D+01          0.064187          0.147797
 Vib (V=0)   16  0.115682D+01          0.063266          0.145674
 Vib (V=0)   17  0.114819D+01          0.060012          0.138184
 Vib (V=0)   18  0.113034D+01          0.053208          0.122515
 Vib (V=0)   19  0.110248D+01          0.042370          0.097561
 Vib (V=0)   20  0.106675D+01          0.028063          0.064618
 Vib (V=0)   21  0.105805D+01          0.024508          0.056432
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.949712D+08          7.977592         18.369084
 Rotational      0.128521D+07          6.108973         14.066430
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333                   3332222                                    11111111111111111111111111111                                  
   77777                   1009999                                    544444433333322222111110000009   8    6665444443333332221111   
   98875                   2219887                                    043331086542176330541109865219   8    43079421199742074384107  
   22098                   0205704                                    388308369951890961926114693257   7    04242844142743243498741  
 
   XXXXX                   XXXXXXX                                    XXXXXXXXXXXXXXXXXXXXXXXXXXXXXX   X    XXXXXXXXXXXXXXXXXXXXXXX  
   XXXXX                    XX X                                       X XX  X  XX XX XXX XX X XXXXX   X       X  XXX XX X           
   XX XX                    XX                                           XX     XX X    X XX X XX  X   X       X   XX XX X           
   XX X                     XX                                           XX     X  X    X XX X XX  X   X           XX XX X           
   XX X                     XX                                                  X  X      XX X XX  X   X           XX XX X           
      X                     X                                                             XX X XX  X               XX XX X           
                            X                                                             XX X XX  X               XX XX             
                            X                                                             XX X XX                  XX X              
                            X                                                             XX X X                   XX                
                                                                                          XX X X                   XX                
                                                                                          XX X X                   XX                
                                                                                          X  X X                   XX                
                                                                                          X  X X                   XX                
                                                                                             X X                    X                
                                                                                             X X                    X                
                                                                                             X X                    X                
                                                                                             X X                                     
                                                                                               X                                     
                                                                                               X                                     
                                                                                               X                                     
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000034318    0.000027081    0.000004064
      2        6          -0.000073648   -0.000010459   -0.000002651
      3        6          -0.000003951   -0.000050902    0.000028554
      4        6           0.000027295    0.000121440   -0.000063058
      5        8          -0.000018520   -0.000095602    0.000036723
      6        6           0.000016462    0.000054415   -0.000047598
      7        8           0.000016675   -0.000022594   -0.000014792
      8        1           0.000008745   -0.000009037   -0.000001925
      9        8           0.000049273    0.000016119    0.000036243
     10        1           0.000011747   -0.000001146    0.000002335
     11        1          -0.000005358    0.000000746   -0.000007861
     12        8           0.000006893    0.000017989   -0.000015948
     13        6          -0.000010629   -0.000012041    0.000017827
     14        1          -0.000005964   -0.000008930    0.000016423
     15        8           0.000009879   -0.000039999    0.000018329
     16        1           0.000003888    0.000000493    0.000002631
     17        1           0.000002704    0.000010423    0.000001701
     18        1           0.000010242    0.000006990   -0.000014132
     19        1           0.000001208    0.000005093    0.000000751
     20        8           0.000006727   -0.000007469   -0.000012391
     21        1          -0.000007288    0.000004692   -0.000000277
     22        1          -0.000000287   -0.000003056    0.000001335
     23        1          -0.000012356   -0.000000903    0.000009061
     24        1           0.000000581   -0.000003343    0.000004656
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000121440 RMS     0.000028099
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.110236D+03  0.144085D+01  0.318107D+00
      2   0.144085D+01  0.104848D+03 -0.347370D+00
      3   0.318107D+00 -0.347370D+00  0.853558D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.434443D+00 -0.369102D+01 -0.216157D+01
      2  -0.273906D+01  0.167940D+01  0.639135D+01
      3   0.119277D+02 -0.123151D+02 -0.312939D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.289411D+02 -0.168201D+02 -0.952249D+01
      2  -0.253730D+02  0.186101D+02  0.406308D+01
      3  -0.356813D+01 -0.178993D+01  0.545941D+01
      4  -0.768575D+00 -0.953933D+01  0.144296D+01
      5  -0.251852D+01  0.201383D+01  0.107422D+02
      6  -0.368589D+01  0.728370D+01  0.256181D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.254333D+01 -0.215034D+01 -0.104950D+01 -0.260372D+01  0.261442D+01
      2  -0.215034D+01  0.310420D+01  0.216991D+00  0.261442D+01  0.381754D+00
      3  -0.104950D+01  0.216991D+00 -0.780414D+00  0.326181D+00 -0.101076D+01
                 6             7             8             9            10 
      1   0.326181D+00 -0.136402D+01  0.678073D+00 -0.764931D-01  0.331689D+01
      2  -0.101076D+01  0.678073D+00 -0.151074D+01 -0.523948D+00  0.181986D+01
      3   0.516971D+00 -0.764931D-01 -0.523948D+00  0.840601D+01  0.131199D+01
                11            12            13            14            15 
      1   0.181986D+01  0.131199D+01  0.177225D+01 -0.239424D+01 -0.208490D+00
      2  -0.157264D+01  0.580400D-01 -0.239424D+01 -0.138274D+01  0.620730D+00
      3   0.580400D-01 -0.156599D+01 -0.208490D+00  0.620730D+00  0.519015D+00
                16            17            18            19            20 
      1   0.222754D+01 -0.123822D+00 -0.239600D-01  0.218010D+01  0.205188D+01
      2  -0.123822D+00  0.594024D+00  0.509791D+00  0.205188D+01 -0.269992D+01
      3  -0.239600D-01  0.509791D+00 -0.866252D+01  0.895604D+00  0.154090D+00
                21            22            23            24            25 
      1   0.895604D+00  0.155271D+01 -0.332494D+01 -0.288044D-01  0.115091D+01
      2   0.154090D+00 -0.332494D+01 -0.164538D+01  0.110850D+01  0.375002D+00
      3   0.384835D+00 -0.288044D-01  0.110850D+01  0.115265D+01 -0.211541D+00
                26            27            28            29            30 
      1   0.375002D+00 -0.211541D+00 -0.234782D+01 -0.123537D+00 -0.109158D+01
      2   0.191968D+01  0.432585D+00 -0.123537D+00  0.290003D+01 -0.263317D+00
      3   0.432585D+00 -0.825986D+01 -0.109158D+01 -0.263317D+00 -0.483925D+00
                31            32            33            34            35 
      1   0.537367D+00  0.407579D+01  0.464666D+00 -0.145911D+01  0.113088D+00
      2   0.407579D+01  0.201408D+01 -0.103398D+01  0.113088D+00 -0.132886D+01
      3   0.464666D+00 -0.103398D+01 -0.806585D+00 -0.256037D+00  0.921913D-01
                36            37            38            39            40 
      1  -0.256037D+00  0.616210D+01 -0.122203D+00  0.795740D+00 -0.147516D+01
      2   0.921913D-01 -0.122203D+00 -0.402573D-01 -0.486821D+00 -0.727659D+00
      3   0.859409D+01  0.795740D+00 -0.486821D+00 -0.249275D+00 -0.228538D+00
                41            42            43            44            45 
      1  -0.727659D+00 -0.228538D+00  0.280672D+01  0.655729D+00  0.421494D+00
      2  -0.410461D+01  0.768317D+00  0.655729D+00  0.175999D+01 -0.497492D+00
      3   0.768317D+00  0.523302D+00  0.421494D+00 -0.497492D+00 -0.147385D+01
                46            47            48            49            50 
      1  -0.366516D+01 -0.295604D+01 -0.667332D+00 -0.136037D+01  0.200583D+01
      2  -0.295604D+01  0.938275D+00  0.712169D+00  0.200583D+01  0.125599D+01
      3  -0.667332D+00  0.712169D+00  0.420626D+00 -0.393608D-03 -0.357425D+00
                51            52            53            54            55 
      1  -0.393608D-03 -0.190153D+01  0.893342D-01  0.105700D+00  0.328458D+01
      2  -0.357425D+00  0.893342D-01 -0.109000D+01  0.184313D-01  0.198831D+01
      3  -0.205130D+01  0.105700D+00  0.184313D-01  0.845695D+01  0.142403D+01
                56            57            58            59            60 
      1   0.198831D+01  0.142403D+01  0.324193D+01 -0.283541D+01 -0.232107D+00
      2  -0.143762D+01 -0.896909D-01 -0.283541D+01  0.643752D+01  0.114630D+01
      3  -0.896909D-01  0.846279D+00 -0.232107D+00  0.114630D+01  0.125514D+00
                61            62            63            64            65 
      1   0.288811D+01 -0.114174D+01 -0.576171D+00  0.429776D+00  0.337078D+00
      2  -0.114174D+01  0.226855D+01  0.136409D+01  0.337078D+00 -0.547339D+00
      3  -0.576171D+00  0.136409D+01  0.235289D+00 -0.894103D+00  0.601247D-01
                66            67            68            69            70 
      1  -0.894103D+00  0.440941D+00 -0.481011D+00  0.770306D-01 -0.181265D+01
      2   0.601247D-01 -0.481011D+00  0.586646D-01 -0.988611D+00  0.176692D+00
      3   0.185279D-01  0.770306D-01 -0.988611D+00  0.265931D+00 -0.391274D+00
                71            72            73            74            75 
      1   0.176692D+00 -0.391274D+00 -0.779193D+01 -0.100574D+00 -0.112611D+01
      2  -0.174374D+01  0.683031D+00 -0.100574D+00  0.636741D+00 -0.222190D+00
      3   0.683031D+00 -0.752586D+01 -0.112611D+01 -0.222190D+00  0.603520D+00
                76            77            78            79            80 
      1   0.287807D+01  0.965708D+00  0.154845D+00 -0.294042D+01 -0.644940D+00
      2   0.965708D+00  0.430391D+01 -0.924784D+00 -0.644940D+00 -0.136271D+01
      3   0.154845D+00 -0.924784D+00  0.947593D+00 -0.131461D+01 -0.604184D-01
                81            82            83            84            85 
      1  -0.131461D+01 -0.615406D+00 -0.304299D+00  0.960061D+00 -0.397049D+00
      2  -0.604184D-01 -0.304299D+00  0.407322D+00  0.698933D-02  0.341283D+00
      3  -0.233046D+00  0.960061D+00  0.698933D-02  0.809716D-01  0.396465D-01
                86            87            88            89            90 
      1   0.341283D+00  0.396465D-01  0.185525D+01  0.204059D+00 -0.550424D+00
      2   0.685492D-01  0.103894D+01  0.204059D+00  0.171232D+01 -0.521507D+00
      3   0.103894D+01 -0.542110D+00 -0.550424D+00 -0.521507D+00  0.773475D+01
                91            92            93            94            95 
      1  -0.150815D+00 -0.403741D+00  0.932468D+00 -0.295195D+00  0.533380D+00
      2  -0.403741D+00  0.487563D+00  0.572945D-01  0.533380D+00  0.402340D+00
      3   0.932468D+00  0.572945D-01  0.456591D-01  0.805516D-01  0.985716D+00
                96            97            98            99           100 
      1   0.805516D-01  0.179145D+01 -0.276918D-01  0.333385D+00  0.400060D+01
      2   0.985716D+00 -0.276918D-01  0.180210D+01  0.420795D+00  0.601144D+00
      3  -0.280252D-01  0.333385D+00  0.420795D+00  0.762355D+01 -0.906602D+00
               101           102           103           104           105 
      1   0.601144D+00 -0.906602D+00 -0.176497D+00  0.405506D+01  0.675430D-01
      2   0.559967D+01 -0.104670D+00  0.405506D+01  0.259595D+01 -0.922922D+00
      3  -0.104670D+00  0.491800D+00  0.675430D-01 -0.922922D+00 -0.788947D+00
               106           107           108           109           110 
      1  -0.117977D+01 -0.307380D+00  0.825614D+00  0.283831D+01  0.385512D+00
      2  -0.307380D+00 -0.258166D+01  0.102758D+01  0.385512D+00 -0.244973D+01
      3   0.825614D+00  0.102758D+01 -0.126902D+00  0.180791D+01  0.308433D+00
               111           112           113           114           115 
      1   0.180791D+01  0.565108D+00 -0.413778D+01  0.358274D-01  0.227639D+01
      2   0.308433D+00 -0.413778D+01 -0.252291D+01  0.134183D+01 -0.240920D+00
      3   0.120329D+01  0.358274D-01  0.134183D+01 -0.620916D+00 -0.654588D+00
               116           117           118           119           120 
      1  -0.240920D+00 -0.654588D+00  0.107217D+01  0.199966D+00 -0.977617D+00
      2   0.150537D+01 -0.130526D+01  0.199966D+00 -0.316568D+00  0.607994D-01
      3  -0.130526D+01 -0.762741D+01 -0.977617D+00  0.607994D-01  0.655927D+00
               121           122           123           124           125 
      1   0.181914D+00 -0.389718D+00 -0.247875D+00 -0.210719D+01 -0.178526D+00
      2  -0.389718D+00  0.120402D-01 -0.980930D+00 -0.178526D+00 -0.159156D+01
      3  -0.247875D+00 -0.980930D+00  0.177239D+00  0.962105D+00  0.159742D+00
               126           127           128           129           130 
      1   0.962105D+00 -0.110879D+01 -0.148189D+01  0.192560D+00 -0.171473D+01
      2   0.159742D+00 -0.148189D+01 -0.139394D+01  0.230145D+00 -0.154237D+01
      3  -0.756179D+01  0.192560D+00  0.230145D+00 -0.350679D+00 -0.733771D-01
               131           132           133           134           135 
      1  -0.154237D+01 -0.733771D-01 -0.216005D+00 -0.144373D+00 -0.252830D+00
      2  -0.855058D+01 -0.314914D+00 -0.144373D+00 -0.196414D+01  0.843914D+00
      3  -0.314914D+00  0.106142D+01 -0.252830D+00  0.843914D+00 -0.556638D+01
               136           137           138           139           140 
      1   0.163967D+00  0.710831D-01 -0.110519D+01  0.103335D+00 -0.425916D+00
      2   0.710831D-01 -0.275458D+00 -0.164521D+00 -0.425916D+00 -0.990714D+00
      3  -0.110519D+01 -0.164521D+00 -0.176648D+00  0.107140D-01 -0.963956D+00
               141           142           143           144           145 
      1   0.107140D-01 -0.181242D+01 -0.446682D+00 -0.412921D+00 -0.862742D+01
      2  -0.963956D+00 -0.446682D+00 -0.186873D+01 -0.146758D+01  0.166735D+01
      3  -0.251376D+00 -0.412921D+00 -0.146758D+01 -0.780975D+01 -0.524539D+00
               146           147           148           149           150 
      1   0.166735D+01 -0.524539D+00 -0.799873D-01 -0.699052D+00  0.747485D-02
      2  -0.189286D+01 -0.773243D-01 -0.699052D+00  0.312702D+00 -0.238244D+00
      3  -0.773243D-01 -0.128559D+01  0.747485D-02 -0.238244D+00  0.142081D+00
               151           152           153           154           155 
      1  -0.155343D+01  0.269534D+00 -0.999256D+00 -0.269778D+01 -0.193977D+01
      2   0.269534D+00 -0.524661D+00  0.356532D+00 -0.193977D+01 -0.216419D+01
      3  -0.999256D+00  0.356532D+00 -0.134855D+00  0.138343D+00  0.213996D-01
               156           157           158           159           160 
      1   0.138343D+00 -0.409161D+01 -0.311161D+01 -0.149599D+00  0.672746D+00
      2   0.213996D-01 -0.311161D+01 -0.568011D+01  0.225439D+00  0.331136D+00
      3  -0.647089D+00 -0.149599D+00  0.225439D+00 -0.104452D+01 -0.766903D+00
               161           162           163           164           165 
      1   0.331136D+00 -0.766903D+00 -0.194921D+01  0.144553D+01  0.223976D+00
      2   0.671986D+00 -0.631785D+00  0.144553D+01 -0.372182D+01  0.507125D-01
      3  -0.631785D+00 -0.225605D-02  0.223976D+00  0.507125D-01 -0.492468D+00
               166           167           168           169           170 
      1   0.174832D+01 -0.150056D+01 -0.106548D+00  0.368157D+00 -0.171019D+00
      2  -0.150056D+01  0.675796D+01  0.149553D+00 -0.171019D+00  0.796779D+00
      3  -0.106548D+00  0.149553D+00  0.109419D+01 -0.151384D+00  0.898536D+00
               171           172           173           174           175 
      1  -0.151384D+00  0.763517D+01 -0.235623D+01 -0.137063D+01 -0.125181D+01
      2   0.898536D+00 -0.235623D+01  0.339859D+01  0.958793D-02  0.354274D+01
      3  -0.620843D-01 -0.137063D+01  0.958793D-02  0.391284D+00  0.260906D-01
               176           177           178           179           180 
      1   0.354274D+01  0.260906D-01 -0.235089D+01  0.700710D+00  0.167591D+01
      2   0.161569D+01 -0.741314D+00  0.700710D+00 -0.151000D+01 -0.575553D+00
      3  -0.741314D+00  0.833933D+00  0.167591D+01 -0.575553D+00 -0.605406D+00
               181           182           183           184           185 
      1  -0.376682D+00  0.296136D+00  0.999660D+00 -0.258526D+00  0.692865D+00
      2   0.296136D+00  0.251783D+00 -0.107692D+00  0.692865D+00  0.432271D+00
      3   0.999660D+00 -0.107692D+00 -0.318931D+00 -0.287570D-01  0.937089D+00
               186           187           188           189           190 
      1  -0.287570D-01  0.238660D+01 -0.178859D+00  0.134752D+01  0.263733D+01
      2   0.937089D+00 -0.178859D+00  0.151470D+01  0.111618D+01  0.206119D+01
      3  -0.877589D-01  0.134752D+01  0.111618D+01  0.840726D+01 -0.693183D+00
               191           192           193           194           195 
      1   0.206119D+01 -0.693183D+00  0.331700D+01  0.267647D+01 -0.194089D+00
      2   0.210627D+01 -0.197130D+00  0.267647D+01  0.545490D+01 -0.815690D+00
      3  -0.197130D+00  0.620215D+00 -0.194089D+00 -0.815690D+00  0.931649D+00
               196           197           198           199           200 
      1  -0.159552D+01 -0.383217D+00  0.868431D+00 -0.134724D+00 -0.440721D+00
      2  -0.383217D+00 -0.146484D+01  0.101136D+01 -0.440721D+00  0.258976D+00
      3   0.868431D+00  0.101136D+01 -0.160094D+00  0.504163D+00 -0.238877D+00
               201           202           203           204           205 
      1   0.504163D+00 -0.358926D+00 -0.320375D-02  0.370640D-01  0.135749D+01
      2  -0.238877D+00 -0.320375D-02 -0.130249D+01  0.786097D+00  0.328630D+00
      3   0.610880D+00  0.370640D-01  0.786097D+00 -0.824848D+00 -0.112817D+00
               206           207           208           209           210 
      1   0.328630D+00 -0.112817D+00 -0.171191D+01 -0.545684D+00  0.219883D+00
      2   0.320664D+01 -0.267606D+01 -0.545684D+00 -0.157707D+01  0.545816D-02
      3  -0.267606D+01  0.628953D+01  0.219883D+00  0.545816D-02 -0.228045D-01
               211           212           213           214           215 
      1  -0.227537D+01  0.699479D-01  0.170943D+00  0.511582D+00  0.671827D-01
      2   0.699479D-01 -0.592479D+01  0.185015D+00  0.671827D-01  0.789506D+00
      3   0.170943D+00  0.185015D+00 -0.124511D+01  0.211055D+00 -0.675155D+00
               216 
      1   0.211055D+00
      2  -0.675155D+00
      3   0.646357D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.135929D+01 -0.718238D-01 -0.866010D+00 -0.146750D+01  0.809864D+00
      2   0.154017D+01 -0.295791D+00  0.423639D+00 -0.434612D+00  0.221257D+01
      3  -0.356024D+01 -0.172459D+01 -0.116136D+01  0.358462D+01  0.212234D+01
                 6             7             8             9            10 
      1  -0.290738D+00 -0.553650D-01  0.399712D+01 -0.716220D+01  0.664443D+00
      2   0.596166D+00 -0.289254D+01  0.345809D+00 -0.824764D+01 -0.213012D+01
      3  -0.370880D+00  0.118598D+00 -0.132219D+01 -0.662026D+00  0.871971D+00
                11            12            13            14            15 
      1  -0.611535D+00 -0.253398D+00  0.288916D+00 -0.134416D+01 -0.100027D+01
      2  -0.111213D+01  0.122142D+01 -0.451347D-01 -0.233721D+01 -0.175687D+01
      3  -0.593552D+01 -0.721695D+00 -0.107679D+00 -0.392577D+00  0.205031D+01
                16            17            18            19            20 
      1  -0.675869D+00  0.231600D+01 -0.412654D+01 -0.102983D+01 -0.384459D+00
      2  -0.328917D+01 -0.130458D+01  0.108575D+02 -0.113775D+01  0.240054D+00
      3  -0.119286D+01  0.124013D+01  0.856691D+00  0.185774D+01  0.156928D+00
                21            22            23            24            25 
      1   0.694805D+00 -0.420020D+00 -0.186069D+01 -0.204139D+00  0.115962D+01
      2   0.132467D+01 -0.838683D+00  0.444049D+00 -0.220854D+00 -0.352907D+01
      3   0.134730D+01  0.601735D+01 -0.443691D+01 -0.120066D+01  0.139462D+01
                26            27            28            29            30 
      1   0.264989D+01  0.870612D+01  0.810727D+00 -0.396642D+00  0.151865D+01
      2  -0.982050D-01 -0.177941D+01 -0.230464D+01 -0.394804D+00 -0.455347D+00
      3   0.241967D+00 -0.836558D+00 -0.525456D+01 -0.853934D+01 -0.532035D+00
                31            32            33            34            35 
      1  -0.114219D+01  0.107806D+01  0.183090D+01  0.162230D+01  0.312690D+01
      2  -0.516951D+00 -0.153818D+01 -0.216146D+01 -0.496791D+01  0.175757D+01
      3  -0.580304D+01 -0.220136D+01  0.223358D+01 -0.461818D+00  0.115674D+01
                36            37            38            39            40 
      1  -0.368884D+01  0.100924D+01  0.492547D+00 -0.289350D+01  0.879195D+00
      2   0.144703D+02  0.823713D+00  0.418058D+00  0.841076D+01  0.197704D+00
      3  -0.365127D+00 -0.951791D+01 -0.707397D+01 -0.998771D+00  0.110383D+02
                41            42            43            44            45 
      1   0.707371D+00 -0.601660D+01  0.247368D+01  0.426593D+01 -0.950521D-01
      2   0.114192D+01  0.220578D+01 -0.508020D+01 -0.249554D+01  0.694583D+00
      3   0.529918D+01 -0.931936D+00 -0.358496D+01 -0.229680D+01 -0.285775D+00
                46            47            48            49            50 
      1  -0.598213D+00 -0.115720D+00  0.202522D+01 -0.659806D+00 -0.126653D+01
      2   0.124747D+01  0.967442D-01 -0.483250D+01 -0.597841D+00  0.152165D+01
      3   0.340467D+01  0.507501D+01  0.127548D+01  0.389879D+01  0.829953D+00
                51            52            53            54            55 
      1  -0.116629D+01 -0.118765D+01  0.295851D+01  0.124724D+02 -0.300165D+01
      2   0.125030D+00 -0.416398D+01 -0.154646D+01 -0.880499D+01 -0.607060D+01
      3  -0.127847D+01  0.265042D+01 -0.114997D+01 -0.115103D+00  0.143285D+02
                56            57            58            59            60 
      1   0.111563D+00  0.494735D+00  0.146592D+01 -0.197210D+01 -0.539995D+01
      2   0.170769D+01  0.157095D+01  0.312898D+00 -0.198945D+01 -0.263131D+01
      3  -0.192359D+01  0.242149D+01  0.783065D+01  0.866168D+01  0.104442D+01
                61            62            63            64            65 
      1   0.383258D+00  0.108044D+01 -0.215589D+01  0.668196D+00 -0.944958D-01
      2  -0.394888D+01 -0.149036D+01 -0.217997D+01  0.150433D+01 -0.239452D+00
      3   0.515709D+01  0.341942D+01  0.144947D+01  0.851002D+00 -0.125779D+01
                66            67            68            69            70 
      1  -0.520851D+00 -0.139351D+00  0.129249D+01 -0.762934D+00 -0.687597D-01
      2   0.816522D+00 -0.331605D-01  0.774555D+00  0.283172D+00 -0.382164D+01
      3  -0.666677D+00  0.978119D+00 -0.419809D+00 -0.949307D+00 -0.199444D+01
                71            72            73            74            75 
      1   0.366487D+01  0.734130D+01 -0.153153D+01 -0.551357D+00 -0.266545D+00
      2  -0.356176D+00  0.842936D+01  0.359583D+01  0.173953D+01  0.588573D+01
      3  -0.192352D+01  0.559338D+00  0.710465D+01 -0.357977D+01  0.228884D+00
                76            77            78            79            80 
      1  -0.227754D+01 -0.264196D+01 -0.910563D+00  0.531017D+00  0.394406D+01
      2   0.824247D+00  0.325953D+01 -0.211009D+01 -0.356518D+00 -0.512458D+00
      3   0.473207D+01  0.178918D+02 -0.206116D+01  0.109001D+01 -0.498942D+01
                81            82            83            84            85 
      1  -0.706979D+00  0.310219D+00  0.382421D+00  0.496950D+00  0.587710D+00
      2   0.253285D+01 -0.183520D+01 -0.275931D-02  0.351214D+00  0.258763D+00
      3   0.711171D+00 -0.104926D+00 -0.178417D+00 -0.272504D+00  0.171836D+01
                86            87            88            89            90 
      1   0.623438D+00 -0.170482D+01  0.107886D+00  0.411110D+01  0.280158D+01
      2  -0.160739D+01  0.365545D+00 -0.350627D+01  0.556339D+00 -0.118170D+02
      3   0.283554D+00  0.116913D+01 -0.666231D+00  0.280695D+01 -0.104040D+00
                91            92            93            94            95 
      1  -0.153408D+01  0.107997D+00  0.266136D+00 -0.143690D+00 -0.134069D+01
      2   0.261137D+00  0.668385D+00  0.762854D+00  0.606315D+00  0.234464D+00
      3   0.234285D-01 -0.158635D+01  0.108981D+01  0.476967D+00  0.462324D+00
                96            97            98            99           100 
      1  -0.446878D+00 -0.392856D+00  0.371489D+01 -0.943007D+01  0.225680D+01
      2  -0.384573D+00 -0.464889D+01  0.861030D-01  0.177025D+01  0.257161D+00
      3  -0.137071D+00  0.247271D+01 -0.816063D+00  0.272737D+00  0.136533D+02
               101           102           103           104           105 
      1  -0.852962D+00 -0.352932D+01 -0.549577D+00  0.440308D+01 -0.398053D+01
      2  -0.141485D+01  0.316654D+01  0.442178D+00  0.402715D+00  0.150192D+01
      3  -0.101457D+02 -0.169273D+01 -0.466310D+00  0.884548D+01  0.108433D+01
               106           107           108           109           110 
      1  -0.226786D+01  0.214360D+01  0.220468D+01 -0.163174D+01 -0.119595D+01
      2  -0.224869D+01  0.107956D+01 -0.571201D+00  0.425803D+01  0.107746D+01
      3  -0.426704D+01  0.149444D+01  0.112323D+01  0.282904D+01  0.628198D+01
               111           112           113           114           115 
      1  -0.226804D+01 -0.248115D+01 -0.310957D+01  0.670317D+00 -0.277426D-01
      2   0.228454D+01  0.146892D+01  0.512014D+01  0.252894D-01 -0.641299D+01
      3  -0.332921D+00  0.153720D+02  0.417297D+01 -0.387543D+01  0.112226D+01
               116           117           118           119           120 
      1   0.213220D+01  0.504995D+01  0.287068D+00  0.431573D+00  0.364106D+00
      2  -0.333285D+01 -0.199833D+02 -0.108946D+01  0.224676D+00  0.195259D+01
      3  -0.485843D+01  0.348169D+01 -0.913201D-01  0.227203D+00 -0.430703D+00
               121           122           123           124           125 
      1   0.218398D+00  0.600721D-01 -0.685528D+00 -0.526754D-01  0.395900D+01
      2  -0.390869D+00 -0.162251D+01  0.265554D+00 -0.357201D+01 -0.159772D-01
      3   0.249051D+01 -0.704035D+00  0.148847D+01 -0.215348D+00  0.285567D+01
               126           127           128           129           130 
      1   0.237863D+01  0.636152D-01  0.136238D+00 -0.193739D+01  0.233125D+00
      2  -0.110590D+02  0.787896D-01 -0.169676D+01  0.490394D+01  0.532896D+00
      3  -0.932034D+00  0.269995D+01 -0.189767D+01  0.820125D+00  0.944455D+01
               131           132           133           134           135 
      1   0.186561D-01 -0.415161D+01  0.765365D-01  0.576155D+01 -0.171890D+02
      2   0.329354D-01  0.898328D-02 -0.129231D-01 -0.845450D+00  0.490871D+01
      3  -0.423889D+01 -0.669485D-01  0.545201D+00 -0.591350D+00  0.192029D+01
               136           137           138           139           140 
      1  -0.199172D+01 -0.185065D+00 -0.473128D+00  0.285674D+00 -0.111565D+01
      2   0.910221D+00  0.207240D+00  0.888747D+00  0.557991D+00  0.652794D+00
      3  -0.707937D-01 -0.168557D+01  0.192586D+01  0.249681D+00  0.344229D+00
               141           142           143           144           145 
      1  -0.925612D+00 -0.150670D+00  0.257934D+01 -0.116866D+02  0.169712D+01
      2  -0.122782D-01 -0.406351D+01  0.814851D+00  0.679254D+01  0.483052D+01
      3  -0.539950D+00  0.336498D+01 -0.508714D+00  0.444700D+00 -0.178644D+02
               146           147           148           149           150 
      1   0.152421D-01  0.248318D+01  0.149691D-01  0.537687D+00 -0.699282D-01
      2  -0.491013D+00  0.446093D+01  0.179444D+00  0.564523D+00 -0.715806D-01
      3  -0.303254D+01 -0.178524D+01 -0.199308D+01 -0.236889D+01 -0.699704D+00
               151           152           153           154           155 
      1   0.187772D+01  0.214967D+00  0.288433D+00  0.932724D+00  0.974174D+00
      2   0.213769D+01 -0.810159D+00  0.769117D+00 -0.920399D+00 -0.731499D+00
      3  -0.383877D+01 -0.116631D+01 -0.128812D+01 -0.445056D+01 -0.552535D+01
               156           157           158           159           160 
      1  -0.105748D+01  0.155569D+01  0.263246D+01 -0.222123D+01 -0.102862D+01
      2   0.191326D+01 -0.900405D+00 -0.214879D+01  0.366007D+01  0.102769D+01
      3  -0.121467D+00 -0.454041D+01 -0.190821D+02  0.110953D+01  0.111996D+00
               161           162           163           164           165 
      1  -0.185620D-01  0.387466D+00 -0.137620D+01  0.120269D+01  0.226563D+01
      2   0.190983D+01  0.104136D-01 -0.318355D+00  0.638026D+00 -0.852821D-01
      3   0.266785D+01 -0.101551D+01 -0.104703D+02  0.747661D+01  0.103368D+01
               166           167           168           169           170 
      1   0.109676D+01 -0.214645D+01 -0.378070D+01  0.637734D+00 -0.164149D+01
      2   0.358688D+00 -0.844113D+00 -0.178108D+00 -0.100953D+01  0.179002D+00
      3   0.849792D+01 -0.109410D+02 -0.557486D+00  0.204681D+01 -0.136919D+01
               171           172           173           174           175 
      1  -0.133165D+00 -0.472931D+00 -0.485391D+00  0.337308D+01  0.432791D+00
      2  -0.219296D+00 -0.447944D+01  0.125389D+01  0.678364D+01 -0.925250D+00
      3  -0.957226D+00  0.191895D+01 -0.187470D+02 -0.258422D+00 -0.105663D+02
               176           177           178           179           180 
      1  -0.241959D+01 -0.329557D+01 -0.882551D-01  0.414461D+01 -0.192628D+01
      2  -0.259485D+01 -0.393043D+00  0.238661D+01 -0.185939D+01 -0.304706D+01
      3  -0.861535D+01  0.274257D+01 -0.231276D-01  0.602343D+01  0.159427D+01
               181           182           183           184           185 
      1  -0.261694D+00 -0.380480D-01 -0.367105D-01  0.295723D+00 -0.227460D+00
      2   0.384177D+01 -0.728272D+00 -0.421813D+00 -0.207093D+00  0.244912D+01
      3  -0.124988D+01 -0.120689D+01  0.701727D+00 -0.876174D+00 -0.826338D+00
               186           187           188           189           190 
      1  -0.163233D+00 -0.102949D+01  0.359300D+01 -0.391209D+01  0.138540D+01
      2  -0.164850D+00 -0.145151D+01  0.356909D+01  0.229604D+02 -0.247991D+01
      3  -0.232789D+01  0.161382D+01 -0.436837D+01 -0.291425D+01 -0.426419D+01
               191           192           193           194           195 
      1   0.800218D+00 -0.129637D+01  0.107783D+01  0.219388D+01 -0.267132D+01
      2  -0.103840D+01  0.287337D+01 -0.108456D+01 -0.334976D+01  0.353740D+01
      3  -0.601218D+01  0.193840D+00 -0.327283D+01 -0.163366D+02  0.251791D+01
               196           197           198           199           200 
      1  -0.859398D+00 -0.115533D+00  0.468293D+00  0.157075D+01 -0.385006D+00
      2   0.164275D+01  0.303274D+01 -0.768336D+00 -0.112014D+01 -0.197277D+00
      3  -0.339976D+00  0.459830D+01 -0.246138D+01 -0.663465D+00  0.511089D+00
               201           202           203           204           205 
      1   0.206042D+01  0.159083D+00  0.291523D+01 -0.257152D+01 -0.348758D+00
      2  -0.683379D+00 -0.553962D+00 -0.110570D+01  0.901071D+00 -0.248421D+01
      3  -0.151155D+01  0.916861D+00 -0.118205D+01  0.668210D+00 -0.374546D+01
               206           207           208           209           210 
      1  -0.576110D+01  0.196598D+02  0.413991D+00  0.713790D+00 -0.644180D+00
      2   0.259849D+01 -0.581223D+01  0.896164D+00 -0.102855D+00 -0.836395D+00
      3   0.203210D+01 -0.253436D+01  0.729824D+01  0.789392D+01 -0.378651D+00
               211           212           213           214           215 
      1   0.529708D+00  0.234665D+01 -0.276186D+01  0.852850D-01 -0.391818D+00
      2   0.788477D+00  0.326980D+00 -0.339098D+01 -0.858342D+00 -0.198284D+01
      3   0.550312D+01  0.235534D+02 -0.950074D+00 -0.135849D+01 -0.317666D+01
               216 
      1   0.280539D+00
      2  -0.680799D-01
      3   0.205793D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.547707D+01 -0.165352D+01  0.477203D+00  0.559343D+01 -0.183267D+01
      2  -0.589292D+01  0.959794D+01 -0.103131D+01  0.155416D+01 -0.484019D+01
      3   0.415854D+00 -0.794442D+01  0.554111D+00 -0.714758D+01  0.667286D+01
      4   0.584266D+01 -0.125613D+02 -0.161702D+01 -0.157181D+02  0.783184D+01
      5   0.333703D+01 -0.173823D+01 -0.209196D+01 -0.346898D+01  0.178083D+01
      6  -0.139131D+01  0.271582D+01  0.250835D+01  0.303733D+01 -0.327890D+01
                 6             7             8             9            10 
      1   0.477773D+00  0.333968D+01  0.501316D+00  0.685970D+01 -0.190869D+02
      2  -0.229086D+00  0.122236D+01 -0.550918D+01  0.520897D+01  0.915439D+01
      3  -0.248687D+00 -0.456205D+01  0.500786D+01 -0.120687D+02  0.993251D+01
      4   0.253301D+01 -0.432002D+01  0.698651D+01  0.100455D+01 -0.693973D+01
      5   0.214820D+01  0.842275D+00  0.192873D+01 -0.198534D+02 -0.688385D+01
      6  -0.423567D+01  0.997815D+00 -0.284585D+00  0.175691D+02 -0.120759D+01
                11            12            13            14            15 
      1  -0.701895D+01 -0.187713D+01 -0.967784D+01  0.736353D+01  0.977415D+00
      2   0.302607D+01  0.408443D+01  0.622174D+01 -0.343566D+01 -0.572585D+00
      3   0.399288D+01 -0.220730D+01  0.345610D+01 -0.392786D+01 -0.404829D+00
      4  -0.222818D+01 -0.828271D+00  0.613686D+01  0.295833D+01 -0.908196D+00
      5  -0.143897D+01 -0.138376D+01 -0.160720D+00 -0.396130D+00 -0.405488D+01
      6  -0.199864D+01  0.478911D+00 -0.651445D+00 -0.838299D+00 -0.492849D+00
                16            17            18            19            20 
      1  -0.116543D+02 -0.215065D+01  0.835580D+01 -0.805997D+01  0.763749D+01
      2   0.565338D+01 -0.511799D+00  0.535994D+01  0.592531D+01 -0.123480D+02
      3   0.600096D+01  0.266245D+01 -0.137157D+02  0.213466D+01  0.471048D+01
      4  -0.123736D+01 -0.134307D+01 -0.153420D+01  0.242886D+01 -0.233148D+01
      5   0.379477D-01 -0.217506D+01  0.278036D+02  0.163181D+01  0.128102D+01
      6   0.739471D-01 -0.500891D+00  0.109458D+02  0.109956D+01  0.162565D+01
                21            22            23            24            25 
      1  -0.938150D+00  0.507686D+01  0.381634D+01 -0.332214D+01 -0.117574D+01
      2  -0.933466D+00 -0.990370D+01 -0.102085D+02  0.942823D+00  0.335512D+01
      3   0.187162D+01  0.482684D+01  0.639219D+01  0.237932D+01 -0.217938D+01
      4   0.114651D+01 -0.518379D+01 -0.938815D+01 -0.114579D+00  0.293491D+01
      5  -0.121863D+01  0.169588D+01  0.125111D+01 -0.765937D+00  0.624931D+00
      6  -0.151705D+01 -0.171582D+00  0.465291D+01 -0.317529D+01 -0.111583D+01
                26            27            28            29            30 
      1  -0.327607D+01  0.528500D+01 -0.113529D+02 -0.960811D+00 -0.404668D+01
      2   0.784091D+01  0.863527D+01  0.453400D+01  0.292100D+00  0.244355D+01
      3  -0.456483D+01 -0.139203D+02  0.681889D+01  0.668711D+00  0.160314D+01
      4   0.276117D+01 -0.128105D+00 -0.555512D+01 -0.602861D+00 -0.187944D+01
      5   0.558151D-01 -0.450110D+01 -0.551164D+01 -0.110686D+01 -0.513948D+01
      6   0.165980D+01 -0.217380D+02 -0.250023D+01  0.104816D-01 -0.252913D+01
                31            32            33            34            35 
      1   0.197529D+00  0.144273D+02  0.513893D-01 -0.386358D+01 -0.171627D+00
      2   0.911301D+00 -0.147430D+02 -0.199738D+01 -0.120685D+00 -0.166032D+01
      3  -0.110883D+01  0.315708D+00  0.194599D+01  0.398426D+01  0.183194D+01
      4  -0.346117D+01  0.380265D+00 -0.202502D+01  0.879077D+00 -0.800038D+00
      5   0.172674D+01 -0.174520D+01 -0.555937D+01 -0.198795D+01  0.707771D+00
      6  -0.335992D-02  0.863469D+00 -0.491368D+01 -0.139811D+01  0.173461D+00
                36            37            38            39            40 
      1   0.577875D+01  0.165296D+02 -0.299358D+01 -0.618309D+00 -0.102079D+01
      2   0.638972D+01 -0.111030D+02  0.263141D+01 -0.160758D+01  0.340682D+00
      3  -0.121685D+02 -0.542657D+01  0.362165D+00  0.222589D+01  0.680109D+00
      4   0.113372D+01 -0.864614D+01  0.102379D+02 -0.148171D+01  0.107580D+02
      5   0.268367D+02  0.208747D+01 -0.865244D-02  0.135578D+02 -0.127669D+01
      6   0.402833D+01 -0.855454D+00  0.192557D+01  0.592202D+01  0.292716D-01
                41            42            43            44            45 
      1  -0.109972D+02  0.300174D+01  0.528918D+01  0.355993D+01 -0.357604D+01
      2   0.156237D+02 -0.589506D+00 -0.528738D+01 -0.386700D+01 -0.319277D+01
      3  -0.462651D+01 -0.241223D+01 -0.179794D-02  0.307068D+00  0.676881D+01
      4  -0.164432D+01  0.106711D+01 -0.392123D+01  0.118448D+01 -0.234619D+01
      5   0.560823D+00  0.534147D+01  0.540966D+01 -0.349839D+00  0.694517D+00
      6  -0.314077D+01  0.883452D+01 -0.719065D+00  0.501849D+01  0.107885D+01
                46            47            48            49            50 
      1  -0.161350D+02  0.841954D+01  0.425881D+01 -0.966279D+00  0.639327D+01
      2   0.147736D+02 -0.945840D+01 -0.835409D+00 -0.347716D+01 -0.180112D+02
      3   0.136141D+01  0.103886D+01 -0.342340D+01  0.444344D+01  0.116179D+02
      4   0.532422D+01 -0.491458D+01  0.703938D+00 -0.957146D+01 -0.972908D+01
      5   0.550468D-01 -0.872538D-01 -0.957546D+01  0.136744D+01  0.765628D+00
      6   0.161706D+00 -0.241980D+01 -0.517763D+01  0.892704D+00  0.196687D+01
                51            52            53            54            55 
      1  -0.661034D+00  0.140852D+01 -0.419298D+00  0.671405D+01 -0.215370D+02
      2   0.104870D+01  0.898954D+00  0.747097D+01  0.797894D+01  0.164244D+02
      3  -0.387667D+00 -0.230747D+01 -0.705168D+01 -0.146930D+02  0.511265D+01
      4   0.161830D+01  0.277092D+01  0.270416D+00  0.581391D+00  0.481982D+01
      5   0.435305D+00 -0.192336D+01 -0.120360D+01 -0.146939D+02 -0.687084D+01
      6  -0.231442D+01 -0.753509D+00 -0.892987D+00 -0.288674D+02  0.698327D+01
                56            57            58            59            60 
      1  -0.835147D+00 -0.513083D+01 -0.654429D+01 -0.885031D+01 -0.359601D+01
      2  -0.459043D+01  0.366389D+01 -0.343446D+01  0.253276D+02  0.246146D+01
      3   0.542558D+01  0.146693D+01  0.997875D+01 -0.164773D+02  0.113455D+01
      4   0.164330D+02  0.508049D+01  0.250898D+02 -0.309512D+02 -0.501618D+01
      5   0.192952D+01  0.470929D+01  0.244864D+01 -0.509089D+01 -0.464980D+01
      6  -0.195186D+01 -0.910190D+00 -0.270048D+01  0.701852D+01  0.100058D+02
                61            62            63            64            65 
      1  -0.954730D+01 -0.231740D+01 -0.469568D+01 -0.399356D+00 -0.398685D+00
      2   0.333741D+01  0.676410D+01  0.118785D+01 -0.211349D+01 -0.588568D+00
      3   0.620988D+01 -0.444670D+01  0.350782D+01  0.251285D+01  0.987253D+00
      4   0.130585D+02 -0.114699D+02 -0.597862D+01 -0.445483D+00  0.337009D+01
      5   0.631714D+01 -0.680549D+01 -0.462196D+01  0.277802D+01 -0.647991D+00
      6  -0.369789D+01  0.104851D+02  0.460757D+01 -0.207360D+01 -0.341365D+00
                66            67            68            69            70 
      1   0.271710D+01 -0.272247D+00 -0.256882D+01  0.190217D+01  0.329001D+01
      2  -0.138594D+01 -0.688639D+00  0.662013D+00 -0.259534D+01 -0.229345D+01
      3  -0.133116D+01  0.960886D+00  0.190681D+01  0.693170D+00 -0.996563D+00
      4  -0.218645D+01  0.318565D+01 -0.109347D+01  0.251329D+01 -0.381388D+01
      5   0.602527D+01  0.598805D-01  0.229804D+01  0.247400D-01  0.485816D+01
      6   0.761224D+00  0.418144D+00 -0.315895D+01  0.665086D+01 -0.116959D+01
                71            72            73            74            75 
      1   0.291672D+01 -0.144216D+02  0.531341D+02  0.282326D+00  0.459162D+01
      2  -0.268000D+01 -0.132114D+02 -0.332059D+02 -0.174092D+01 -0.550563D+01
      3  -0.236718D+00  0.276330D+02 -0.199282D+02  0.145859D+01  0.914011D+00
      4   0.431588D+01 -0.133572D+01  0.382202D+01  0.226727D+01  0.204742D+01
      5  -0.170917D+01  0.188719D+02  0.977656D+01  0.184064D+01  0.103083D+02
      6   0.526032D+01 -0.177085D+02  0.140451D+01  0.110206D+01  0.139806D+00
                76            77            78            79            80 
      1  -0.127736D+02 -0.464177D+01 -0.131392D+01  0.158398D+02  0.228249D+01
      2   0.433481D+01 -0.158932D+01  0.177213D+01 -0.100545D+02  0.493844D+00
      3   0.843879D+01  0.623109D+01 -0.458209D+00 -0.578532D+01 -0.277634D+01
      4  -0.820980D+01 -0.261392D+02  0.433164D+01  0.573772D+01  0.784558D+01
      5   0.232818D-01  0.527349D+01 -0.332931D+01  0.138573D+02  0.558146D+00
      6  -0.848567D-01  0.635637D+00  0.270005D+01  0.188772D+01  0.306419D+01
                81            82            83            84            85 
      1   0.491810D+01  0.224478D+01  0.125323D+01 -0.440061D+01  0.134225D+01
      2  -0.793145D+01 -0.373038D+01 -0.793874D+00  0.223348D+01 -0.774810D+00
      3   0.301335D+01  0.148560D+01 -0.459359D+00  0.216713D+01 -0.567438D+00
      4   0.613978D+00  0.104884D+01  0.743675D+00 -0.700315D+00  0.121490D+01
      5   0.548051D+01 -0.376347D+01 -0.226928D+00  0.535272D+01 -0.101777D-01
      6   0.132505D+01 -0.715939D+00  0.265065D+00 -0.730949D+00 -0.824938D+00
                86            87            88            89            90 
      1  -0.426551D+01  0.152333D+01 -0.592227D+01  0.124426D+01 -0.146340D+02
      2   0.899175D+00 -0.105719D+01  0.463703D+01 -0.814872D+00 -0.141554D+02
      3   0.336634D+01 -0.466140D+00  0.128524D+01 -0.429385D+00  0.287893D+02
      4   0.781779D-01 -0.355233D+01 -0.223355D+01 -0.493008D+01  0.119188D+01
      5  -0.375090D+01  0.105534D+01  0.594520D+01  0.196223D+01 -0.268691D+02
      6  -0.176968D+01  0.794016D+01  0.454011D+00  0.511131D+01 -0.824489D+01
                91            92            93            94            95 
      1   0.148144D+01 -0.113754D+01  0.862922D+00 -0.161751D+01 -0.330362D+01
      2  -0.415415D+01  0.152536D+01 -0.233521D+00  0.187780D+01  0.121350D+01
      3   0.267272D+01 -0.387826D+00 -0.629401D+00 -0.260282D+00  0.209012D+01
      4  -0.533736D+00  0.162579D+01  0.225031D+01  0.182803D+01  0.102151D+01
      5   0.854693D+00  0.474553D+00  0.615758D+01 -0.104211D-01  0.617092D+00
      6   0.281181D+01  0.967955D-03 -0.340664D+00  0.300386D+00  0.287133D+01
                96            97            98            99           100 
      1  -0.178239D+01  0.760348D+00 -0.429802D+01 -0.153064D+02  0.994953D+01
      2   0.349579D+01 -0.122821D+01  0.529891D+01 -0.145545D+02 -0.492562D+01
      3  -0.171340D+01  0.467859D+00 -0.100090D+01  0.298609D+02 -0.502391D+01
      4   0.848347D+00  0.340163D+01  0.136617D+01  0.297261D+00  0.176908D+02
      5  -0.327059D+00  0.445853D+01  0.156593D+00  0.503045D+01 -0.189678D+01
      6   0.581408D+01  0.956303D+00  0.519127D+01  0.213268D+02 -0.436344D+01
               101           102           103           104           105 
      1  -0.190245D+02  0.466584D+00 -0.115544D+02 -0.528302D+01  0.479921D+01
      2   0.330271D+02  0.116877D+01  0.214664D+02  0.128115D+02 -0.370579D+01
      3  -0.140026D+02 -0.163535D+01 -0.991195D+01 -0.752853D+01 -0.109342D+01
      4   0.113781D+02 -0.359868D+01  0.116613D+02  0.239956D+02 -0.971647D+00
      5  -0.681388D+00  0.616576D+01 -0.742619D+00 -0.271868D+01  0.201900D+01
      6  -0.127696D+01  0.546585D+01  0.475032D-01 -0.692609D+01  0.783763D+01
               106           107           108           109           110 
      1  -0.509555D+00  0.910056D+01 -0.458341D+01  0.553259D+01  0.320033D+01
      2  -0.359063D+00 -0.134721D+02  0.151800D+01 -0.579156D+01 -0.213196D+01
      3   0.868618D+00  0.437155D+01  0.306541D+01  0.258971D+00 -0.106837D+01
      4  -0.567825D+01 -0.406035D+01  0.455347D+01  0.696436D+01 -0.168323D+02
      5   0.476995D+01  0.268633D+01 -0.111286D+01  0.130836D+02  0.168514D+01
      6   0.546046D+01  0.103695D+02 -0.463330D+01  0.312514D+01  0.216796D+01
               111           112           113           114           115 
      1   0.605154D+01  0.114420D+02 -0.207571D+02  0.196392D+01  0.142276D+02
      2  -0.592680D+01 -0.898718D+01  0.524486D+01  0.346852D+01 -0.418547D+01
      3  -0.124742D+00 -0.245481D+01  0.155122D+02 -0.543245D+01 -0.100421D+02
      4   0.289949D+01 -0.283245D+02 -0.146376D+02  0.718561D+01 -0.238966D+01
      5   0.930246D+00 -0.923956D+00  0.800644D+01  0.122833D+01 -0.408147D+01
      6   0.444171D+01  0.787974D+00  0.139106D+01 -0.328562D+01 -0.645172D+00
               116           117           118           119           120 
      1   0.590731D+00  0.829972D+01  0.370137D+01  0.866055D+00 -0.254351D+01
      2   0.178828D+01  0.103340D+02 -0.477962D+01 -0.739394D+00  0.153213D+01
      3  -0.237901D+01 -0.186337D+02  0.107825D+01 -0.126660D+00  0.101138D+01
      4   0.970674D+01 -0.885301D+01  0.549093D+00  0.136385D+01  0.379516D+00
      5  -0.711201D+01 -0.385494D+02 -0.308225D+01  0.285816D+00  0.781144D+01
      6  -0.674946D+00 -0.323805D+01 -0.212842D+00 -0.842252D-01 -0.460668D+00
               121           122           123           124           125 
      1   0.111761D+01 -0.443731D+01 -0.672150D+00 -0.495979D+01  0.897657D+00
      2  -0.949673D+00  0.146390D+01  0.160066D+00  0.591357D+01 -0.114728D+00
      3  -0.167935D+00  0.297341D+01  0.512085D+00 -0.953778D+00 -0.782928D+00
      4   0.164150D+01  0.317669D+00 -0.217559D+01 -0.302505D+00 -0.293130D+01
      5  -0.680077D+00 -0.306666D+01  0.102134D+01  0.709439D+01  0.602679D+00
      6  -0.691878D+00 -0.336896D+00  0.688080D+01  0.758552D+00  0.428591D+01
               126           127           128           129           130 
      1  -0.144515D+02  0.551293D+01 -0.387000D+01  0.116277D+01 -0.114596D+01
      2  -0.143819D+02  0.275492D+01  0.912440D+01 -0.628668D+00  0.724607D+01
      3   0.288334D+02 -0.826785D+01 -0.525440D+01 -0.534106D+00 -0.610011D+01
      4   0.159008D+00  0.683380D+01  0.147625D+02 -0.314253D+00  0.168307D+02
      5  -0.219872D+02 -0.113768D+01 -0.958449D+00  0.563545D+01 -0.106573D+01
      6  -0.248884D+01 -0.635850D+00 -0.190423D+01  0.386556D+01 -0.331872D+00
               131           132           133           134           135 
      1  -0.302877D+02 -0.617090D+00 -0.871433D-01 -0.667302D+01  0.600117D+01
      2   0.571246D+02  0.119657D+01  0.628444D+00  0.570222D+01 -0.644501D+00
      3  -0.268369D+02 -0.579475D+00 -0.541300D+00  0.970807D+00 -0.535667D+01
      4   0.215130D+02 -0.200476D+00  0.124434D+01  0.179870D+01  0.962434D+00
      5  -0.302503D-01  0.205742D+00  0.371743D+01 -0.558459D+00  0.841620D+01
      6  -0.406438D+00  0.588220D+01  0.214847D+01 -0.243251D+00  0.291080D+02
               136           137           138           139           140 
      1   0.483973D+00 -0.703551D+00  0.132432D+01 -0.119861D+01 -0.511413D+01
      2  -0.305983D+01  0.766934D+00 -0.319901D+00  0.143909D+01  0.379231D+01
      3   0.257586D+01 -0.633835D-01 -0.100442D+01 -0.240481D+00  0.132182D+01
      4  -0.184069D+00  0.291859D+01  0.325248D+01  0.227031D+01  0.181635D+01
      5   0.168045D+01  0.105253D+01  0.711832D+01  0.848770D-01  0.112477D+01
      6   0.400262D+01  0.213327D+00  0.828513D+00  0.133665D+00  0.392430D+01
               141           142           143           144           145 
      1  -0.196864D+01  0.713962D+00 -0.673110D+01 -0.175590D+02  0.434440D+02
      2   0.350887D+01 -0.693748D+00  0.461453D+01 -0.109807D+02 -0.203782D+02
      3  -0.154023D+01 -0.202137D-01  0.211657D+01  0.285397D+02 -0.230657D+02
      4   0.931689D+00  0.445795D+01  0.325918D+01  0.123093D+01 -0.318018D+02
      5  -0.198104D+00  0.508041D+01  0.220858D+01  0.108764D+02  0.183641D+01
      6   0.695927D+01  0.167147D+01  0.933755D+01  0.267710D+02 -0.332940D+01
               146           147           148           149           150 
      1  -0.406818D+01  0.401542D+01  0.254577D+01  0.214196D+01  0.661991D+00
      2  -0.259931D+01 -0.153706D+01 -0.363690D+01  0.572814D+00 -0.811226D+00
      3   0.666749D+01 -0.247836D+01  0.109113D+01 -0.271478D+01  0.149235D+00
      4   0.124551D+02 -0.197013D+01  0.423340D+01 -0.234909D+01  0.991609D+00
      5   0.119088D+00  0.613010D+01  0.143044D-01  0.101314D+01 -0.393506D+00
      6  -0.350140D+00 -0.451146D+01 -0.958636D-01 -0.791664D+00  0.293033D+00
               151           152           153           154           155 
      1   0.733093D+01 -0.361352D-01  0.342350D+01  0.144831D+02  0.951956D+01
      2  -0.366727D+01 -0.124801D+01 -0.286095D+01 -0.432056D+01 -0.171161D+01
      3  -0.366366D+01  0.128414D+01 -0.562555D+00 -0.101625D+02 -0.780794D+01
      4  -0.591748D+01  0.258120D+01 -0.379374D+01  0.141310D+02  0.156337D+02
      5   0.693778D+01 -0.157877D+01  0.132649D+01 -0.642184D+00 -0.121821D+00
      6  -0.380760D+01  0.225735D+01 -0.509291D+00  0.992012D-01  0.653155D+00
               156           157           158           159           160 
      1  -0.110981D+01  0.192859D+02  0.935650D+01  0.245092D+00 -0.344735D+01
      2   0.302550D+00 -0.512523D+01  0.611657D+01 -0.133718D+01  0.148119D+01
      3   0.807257D+00 -0.141607D+02 -0.154731D+02  0.109209D+01  0.196616D+01
      4  -0.518770D+00  0.249320D+02  0.349778D+02 -0.132298D+01 -0.300761D+01
      5   0.344421D+01  0.550245D+00 -0.168547D+01  0.596731D+01  0.548276D+01
      6   0.134435D+01  0.107976D+01  0.108782D+01  0.272003D+01  0.225539D+01
               161           162           163           164           165 
      1  -0.117865D+01  0.165495D+01 -0.550366D+01  0.149999D+02 -0.100615D+00
      2  -0.548970D+00 -0.138078D+01  0.930890D+01 -0.239502D+02 -0.550717D+00
      3   0.172762D+01 -0.274175D+00 -0.380524D+01  0.895033D+01  0.651333D+00
      4  -0.411813D+01  0.437580D+01 -0.822840D+01  0.699789D+01  0.100746D+01
      5   0.418646D+01 -0.189468D-01  0.480606D+00 -0.658327D+00 -0.585805D+00
      6   0.338137D+01 -0.492188D+00  0.124751D+01  0.291831D-01 -0.306126D+01
               166           167           168           169           170 
      1   0.775608D+01 -0.258221D+02 -0.583197D+00  0.849996D+00 -0.339324D+01
      2  -0.117075D+02  0.434965D+02  0.165433D+01 -0.130459D+01  0.516029D+01
      3   0.395144D+01 -0.176744D+02 -0.107114D+01  0.454595D+00 -0.176705D+01
      4   0.796747D+01 -0.583868D+01 -0.254330D+00  0.140180D+01 -0.488893D+00
      5  -0.520844D+00  0.856509D+00  0.382909D+00  0.119760D+01  0.582319D-01
      6  -0.493215D+00  0.901494D+00  0.578736D+01 -0.157962D+01  0.679836D+01
               171           172           173           174           175 
      1  -0.411313D+01  0.607212D+02 -0.914504D+01 -0.709782D+01 -0.965545D+01
      2   0.394703D+01 -0.319458D+02 -0.151382D+01  0.651271D+01  0.106809D+01
      3   0.166096D+00 -0.287754D+02  0.106589D+02  0.585113D+00  0.858736D+01
      4  -0.869429D+00 -0.234243D+02  0.284531D+02  0.122240D+01  0.295628D+02
      5  -0.445847D+00 -0.104380D+02  0.558429D+00  0.133289D+02  0.115231D+01
      6   0.263820D+00  0.931068D+00 -0.650736D+00 -0.437731D+01 -0.498614D+00
               176           177           178           179           180 
      1   0.258914D+02 -0.362475D+01 -0.154397D+02  0.109888D+01  0.724765D+01
      2  -0.157008D+02  0.706275D+00  0.862479D+01  0.149847D+01 -0.976229D+01
      3  -0.101906D+02  0.291848D+01  0.681487D+01 -0.259735D+01  0.251464D+01
      4   0.284961D+01 -0.494472D+01  0.682037D+01 -0.101887D+02 -0.495149D+01
      5  -0.629021D+01 -0.229777D+00  0.177089D+02 -0.527339D+01 -0.644315D+01
      6   0.248243D+01  0.695732D+01 -0.367206D+01  0.470422D+01  0.347445D+01
               181           182           183           184           185 
      1  -0.121068D+01  0.143681D+01  0.741525D+01 -0.179113D+01  0.271746D+00
      2  -0.185371D+01 -0.480610D+00 -0.338208D+01  0.163260D+01 -0.128851D+01
      3   0.306439D+01 -0.956197D+00 -0.403317D+01  0.158531D+00  0.101676D+01
      4   0.133721D+01  0.308651D+01 -0.106854D+00  0.533721D+01  0.265600D+01
      5   0.610079D+01 -0.129985D+00  0.420102D+01 -0.163360D+00  0.477084D+01
      6  -0.957968D-01 -0.586214D+00 -0.248539D+00  0.647686D+00  0.778829D+00
               186           187           188           189           190 
      1  -0.104342D+01  0.108288D+02 -0.397939D+01 -0.126346D+02  0.180473D+02
      2   0.456606D+00 -0.900204D+01  0.482805D-01 -0.174337D+02 -0.634036D+01
      3   0.586812D+00 -0.182672D+01  0.393111D+01  0.300683D+02 -0.117069D+02
      4   0.480926D+01  0.179005D+00  0.783425D+01  0.787741D+01  0.160248D+02
      5  -0.729059D+00  0.127500D+02  0.625092D+01  0.458585D+02 -0.419262D+01
      6   0.554792D+01  0.924938D+00  0.548515D+01  0.426344D+01 -0.100624D+01
               191           192           193           194           195 
      1   0.114489D+02 -0.417156D+01  0.170176D+02  0.829440D+01 -0.493984D+00
      2  -0.342403D+01  0.133012D+01 -0.547922D+01  0.592687D+01 -0.131615D+01
      3  -0.802487D+01  0.284144D+01 -0.115384D+02 -0.142213D+02  0.181014D+01
      4   0.175211D+02 -0.189505D+01  0.218579D+02  0.347233D+02 -0.508406D+01
      5  -0.134907D+01  0.510184D+01 -0.125907D+01 -0.471962D+01  0.610573D+01
      6  -0.342134D+00  0.154442D+01 -0.293854D+00 -0.155158D+01  0.341258D+01
               196           197           198           199           200 
      1  -0.860955D+01 -0.140707D+01  0.179372D+01 -0.130711D+01  0.249079D+01
      2   0.391718D+01 -0.492631D+00 -0.236905D+01  0.800105D+00 -0.232693D+01
      3   0.469237D+01  0.189971D+01  0.575329D+00  0.507004D+00 -0.163866D+00
      4  -0.368101D+01 -0.902869D+01  0.657376D+01  0.572921D+00  0.306358D+01
      5   0.672566D+01  0.670133D+01 -0.163783D+01 -0.495776D+00 -0.944287D+00
      6   0.205776D+01  0.379294D+01 -0.191627D+01 -0.289136D+01  0.151485D+01
               201           202           203           204           205 
      1  -0.235521D+01  0.739144D+00 -0.518229D+01  0.277480D+01 -0.181929D+01
      2   0.121807D+01 -0.512000D+00  0.728511D+01 -0.509379D+01  0.849622D-01
      3   0.113715D+01 -0.227144D+00 -0.210282D+01  0.231898D+01  0.173433D+01
      4  -0.302038D+01  0.225481D+01  0.113644D+01 -0.118511D+01 -0.611904D+01
      5   0.118523D+01 -0.335788D+00 -0.109988D+01  0.131771D+01  0.236566D+01
      6  -0.370747D+01 -0.261609D+00 -0.559454D+01  0.629162D+01  0.319267D+00
               206           207           208           209           210 
      1   0.120298D+02 -0.153702D+02 -0.916887D+01 -0.782425D+01  0.147084D+01
      2  -0.131375D+02  0.455044D+01  0.642892D+01  0.744616D+01 -0.823668D+00
      3   0.110766D+01  0.108197D+02  0.273995D+01  0.378092D+00 -0.647170D+00
      4  -0.488062D+01  0.252126D+01 -0.190800D+00 -0.799351D+01 -0.220071D+00
      5   0.402839D+01 -0.992252D+01  0.153069D+01  0.524096D+00 -0.181274D+01
      6   0.169926D+02 -0.347967D+02 -0.587345D+00 -0.317795D+00  0.271629D+00
               211           212           213           214           215 
      1  -0.148566D+02 -0.145112D+02  0.153149D+01  0.294470D+01  0.204089D+01
      2   0.850491D+01  0.220528D+02 -0.203008D+01 -0.177009D+01 -0.239211D+01
      3   0.635166D+01 -0.754157D+01  0.498593D+00 -0.117461D+01  0.351226D+00
      4   0.394216D+01 -0.330443D+02  0.124346D+01 -0.264607D+00  0.432953D+01
      5   0.149486D+01  0.227519D+01 -0.701634D+01  0.204722D+01 -0.388558D+01
      6   0.472549D-01 -0.112822D+01  0.325810D+01  0.331838D-01  0.407529D+01
               216 
      1  -0.189051D+01
      2   0.845280D+00
      3   0.104523D+01
      4  -0.328635D+01
      5  -0.220137D+00
      6  -0.476148D+00
 Leave Link  716 at Thu Aug 12 23:49:10 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.110236D+03  0.144085D+01  0.318107D+00
      2   0.144085D+01  0.104848D+03 -0.347370D+00
      3   0.318107D+00 -0.347370D+00  0.853558D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.434443D+00 -0.369102D+01 -0.216157D+01
      2  -0.273906D+01  0.167940D+01  0.639135D+01
      3   0.119277D+02 -0.123151D+02 -0.312939D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.289411D+02 -0.168201D+02 -0.952249D+01
      2  -0.253730D+02  0.186101D+02  0.406308D+01
      3  -0.356813D+01 -0.178993D+01  0.545941D+01
      4  -0.768575D+00 -0.953933D+01  0.144296D+01
      5  -0.251852D+01  0.201383D+01  0.107422D+02
      6  -0.368589D+01  0.728370D+01  0.256181D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.254333D+01 -0.215034D+01 -0.104950D+01 -0.260372D+01  0.261442D+01
      2  -0.215034D+01  0.310420D+01  0.216991D+00  0.261442D+01  0.381754D+00
      3  -0.104950D+01  0.216991D+00 -0.780414D+00  0.326181D+00 -0.101076D+01
                 6             7             8             9            10 
      1   0.326181D+00 -0.136402D+01  0.678073D+00 -0.764931D-01  0.331689D+01
      2  -0.101076D+01  0.678073D+00 -0.151074D+01 -0.523948D+00  0.181986D+01
      3   0.516971D+00 -0.764931D-01 -0.523948D+00  0.840601D+01  0.131199D+01
                11            12            13            14            15 
      1   0.181986D+01  0.131199D+01  0.177225D+01 -0.239424D+01 -0.208490D+00
      2  -0.157264D+01  0.580400D-01 -0.239424D+01 -0.138274D+01  0.620730D+00
      3   0.580400D-01 -0.156599D+01 -0.208490D+00  0.620730D+00  0.519015D+00
                16            17            18            19            20 
      1   0.222754D+01 -0.123822D+00 -0.239600D-01  0.218010D+01  0.205188D+01
      2  -0.123822D+00  0.594024D+00  0.509791D+00  0.205188D+01 -0.269992D+01
      3  -0.239600D-01  0.509791D+00 -0.866252D+01  0.895604D+00  0.154090D+00
                21            22            23            24            25 
      1   0.895604D+00  0.155271D+01 -0.332494D+01 -0.288044D-01  0.115091D+01
      2   0.154090D+00 -0.332494D+01 -0.164538D+01  0.110850D+01  0.375002D+00
      3   0.384835D+00 -0.288044D-01  0.110850D+01  0.115265D+01 -0.211541D+00
                26            27            28            29            30 
      1   0.375002D+00 -0.211541D+00 -0.234782D+01 -0.123537D+00 -0.109158D+01
      2   0.191968D+01  0.432585D+00 -0.123537D+00  0.290003D+01 -0.263317D+00
      3   0.432585D+00 -0.825986D+01 -0.109158D+01 -0.263317D+00 -0.483925D+00
                31            32            33            34            35 
      1   0.537367D+00  0.407579D+01  0.464666D+00 -0.145911D+01  0.113088D+00
      2   0.407579D+01  0.201408D+01 -0.103398D+01  0.113088D+00 -0.132886D+01
      3   0.464666D+00 -0.103398D+01 -0.806585D+00 -0.256037D+00  0.921913D-01
                36            37            38            39            40 
      1  -0.256037D+00  0.616210D+01 -0.122203D+00  0.795740D+00 -0.147516D+01
      2   0.921913D-01 -0.122203D+00 -0.402573D-01 -0.486821D+00 -0.727659D+00
      3   0.859409D+01  0.795740D+00 -0.486821D+00 -0.249275D+00 -0.228538D+00
                41            42            43            44            45 
      1  -0.727659D+00 -0.228538D+00  0.280672D+01  0.655729D+00  0.421494D+00
      2  -0.410461D+01  0.768317D+00  0.655729D+00  0.175999D+01 -0.497492D+00
      3   0.768317D+00  0.523302D+00  0.421494D+00 -0.497492D+00 -0.147385D+01
                46            47            48            49            50 
      1  -0.366516D+01 -0.295604D+01 -0.667332D+00 -0.136037D+01  0.200583D+01
      2  -0.295604D+01  0.938275D+00  0.712169D+00  0.200583D+01  0.125599D+01
      3  -0.667332D+00  0.712169D+00  0.420626D+00 -0.393608D-03 -0.357425D+00
                51            52            53            54            55 
      1  -0.393608D-03 -0.190153D+01  0.893342D-01  0.105700D+00  0.328458D+01
      2  -0.357425D+00  0.893342D-01 -0.109000D+01  0.184313D-01  0.198831D+01
      3  -0.205130D+01  0.105700D+00  0.184313D-01  0.845695D+01  0.142403D+01
                56            57            58            59            60 
      1   0.198831D+01  0.142403D+01  0.324193D+01 -0.283541D+01 -0.232107D+00
      2  -0.143762D+01 -0.896909D-01 -0.283541D+01  0.643752D+01  0.114630D+01
      3  -0.896909D-01  0.846279D+00 -0.232107D+00  0.114630D+01  0.125514D+00
                61            62            63            64            65 
      1   0.288811D+01 -0.114174D+01 -0.576171D+00  0.429776D+00  0.337078D+00
      2  -0.114174D+01  0.226855D+01  0.136409D+01  0.337078D+00 -0.547339D+00
      3  -0.576171D+00  0.136409D+01  0.235289D+00 -0.894103D+00  0.601247D-01
                66            67            68            69            70 
      1  -0.894103D+00  0.440941D+00 -0.481011D+00  0.770306D-01 -0.181265D+01
      2   0.601247D-01 -0.481011D+00  0.586646D-01 -0.988611D+00  0.176692D+00
      3   0.185279D-01  0.770306D-01 -0.988611D+00  0.265931D+00 -0.391274D+00
                71            72            73            74            75 
      1   0.176692D+00 -0.391274D+00 -0.779193D+01 -0.100574D+00 -0.112611D+01
      2  -0.174374D+01  0.683031D+00 -0.100574D+00  0.636741D+00 -0.222190D+00
      3   0.683031D+00 -0.752586D+01 -0.112611D+01 -0.222190D+00  0.603520D+00
                76            77            78            79            80 
      1   0.287807D+01  0.965708D+00  0.154845D+00 -0.294042D+01 -0.644940D+00
      2   0.965708D+00  0.430391D+01 -0.924784D+00 -0.644940D+00 -0.136271D+01
      3   0.154845D+00 -0.924784D+00  0.947593D+00 -0.131461D+01 -0.604184D-01
                81            82            83            84            85 
      1  -0.131461D+01 -0.615406D+00 -0.304299D+00  0.960061D+00 -0.397049D+00
      2  -0.604184D-01 -0.304299D+00  0.407322D+00  0.698933D-02  0.341283D+00
      3  -0.233046D+00  0.960061D+00  0.698933D-02  0.809716D-01  0.396465D-01
                86            87            88            89            90 
      1   0.341283D+00  0.396465D-01  0.185525D+01  0.204059D+00 -0.550424D+00
      2   0.685492D-01  0.103894D+01  0.204059D+00  0.171232D+01 -0.521507D+00
      3   0.103894D+01 -0.542110D+00 -0.550424D+00 -0.521507D+00  0.773475D+01
                91            92            93            94            95 
      1  -0.150815D+00 -0.403741D+00  0.932468D+00 -0.295195D+00  0.533380D+00
      2  -0.403741D+00  0.487563D+00  0.572945D-01  0.533380D+00  0.402340D+00
      3   0.932468D+00  0.572945D-01  0.456591D-01  0.805516D-01  0.985716D+00
                96            97            98            99           100 
      1   0.805516D-01  0.179145D+01 -0.276918D-01  0.333385D+00  0.400060D+01
      2   0.985716D+00 -0.276918D-01  0.180210D+01  0.420795D+00  0.601144D+00
      3  -0.280252D-01  0.333385D+00  0.420795D+00  0.762355D+01 -0.906602D+00
               101           102           103           104           105 
      1   0.601144D+00 -0.906602D+00 -0.176497D+00  0.405506D+01  0.675430D-01
      2   0.559967D+01 -0.104670D+00  0.405506D+01  0.259595D+01 -0.922922D+00
      3  -0.104670D+00  0.491800D+00  0.675430D-01 -0.922922D+00 -0.788947D+00
               106           107           108           109           110 
      1  -0.117977D+01 -0.307380D+00  0.825614D+00  0.283831D+01  0.385512D+00
      2  -0.307380D+00 -0.258166D+01  0.102758D+01  0.385512D+00 -0.244973D+01
      3   0.825614D+00  0.102758D+01 -0.126902D+00  0.180791D+01  0.308433D+00
               111           112           113           114           115 
      1   0.180791D+01  0.565108D+00 -0.413778D+01  0.358274D-01  0.227639D+01
      2   0.308433D+00 -0.413778D+01 -0.252291D+01  0.134183D+01 -0.240920D+00
      3   0.120329D+01  0.358274D-01  0.134183D+01 -0.620916D+00 -0.654588D+00
               116           117           118           119           120 
      1  -0.240920D+00 -0.654588D+00  0.107217D+01  0.199966D+00 -0.977617D+00
      2   0.150537D+01 -0.130526D+01  0.199966D+00 -0.316568D+00  0.607994D-01
      3  -0.130526D+01 -0.762741D+01 -0.977617D+00  0.607994D-01  0.655927D+00
               121           122           123           124           125 
      1   0.181914D+00 -0.389718D+00 -0.247875D+00 -0.210719D+01 -0.178526D+00
      2  -0.389718D+00  0.120402D-01 -0.980930D+00 -0.178526D+00 -0.159156D+01
      3  -0.247875D+00 -0.980930D+00  0.177239D+00  0.962105D+00  0.159742D+00
               126           127           128           129           130 
      1   0.962105D+00 -0.110879D+01 -0.148189D+01  0.192560D+00 -0.171473D+01
      2   0.159742D+00 -0.148189D+01 -0.139394D+01  0.230145D+00 -0.154237D+01
      3  -0.756179D+01  0.192560D+00  0.230145D+00 -0.350679D+00 -0.733771D-01
               131           132           133           134           135 
      1  -0.154237D+01 -0.733771D-01 -0.216005D+00 -0.144373D+00 -0.252830D+00
      2  -0.855058D+01 -0.314914D+00 -0.144373D+00 -0.196414D+01  0.843914D+00
      3  -0.314914D+00  0.106142D+01 -0.252830D+00  0.843914D+00 -0.556638D+01
               136           137           138           139           140 
      1   0.163967D+00  0.710831D-01 -0.110519D+01  0.103335D+00 -0.425916D+00
      2   0.710831D-01 -0.275458D+00 -0.164521D+00 -0.425916D+00 -0.990714D+00
      3  -0.110519D+01 -0.164521D+00 -0.176648D+00  0.107140D-01 -0.963956D+00
               141           142           143           144           145 
      1   0.107140D-01 -0.181242D+01 -0.446682D+00 -0.412921D+00 -0.862742D+01
      2  -0.963956D+00 -0.446682D+00 -0.186873D+01 -0.146758D+01  0.166735D+01
      3  -0.251376D+00 -0.412921D+00 -0.146758D+01 -0.780975D+01 -0.524539D+00
               146           147           148           149           150 
      1   0.166735D+01 -0.524539D+00 -0.799873D-01 -0.699052D+00  0.747485D-02
      2  -0.189286D+01 -0.773243D-01 -0.699052D+00  0.312702D+00 -0.238244D+00
      3  -0.773243D-01 -0.128559D+01  0.747485D-02 -0.238244D+00  0.142081D+00
               151           152           153           154           155 
      1  -0.155343D+01  0.269534D+00 -0.999256D+00 -0.269778D+01 -0.193977D+01
      2   0.269534D+00 -0.524661D+00  0.356532D+00 -0.193977D+01 -0.216419D+01
      3  -0.999256D+00  0.356532D+00 -0.134855D+00  0.138343D+00  0.213996D-01
               156           157           158           159           160 
      1   0.138343D+00 -0.409161D+01 -0.311161D+01 -0.149599D+00  0.672746D+00
      2   0.213996D-01 -0.311161D+01 -0.568011D+01  0.225439D+00  0.331136D+00
      3  -0.647089D+00 -0.149599D+00  0.225439D+00 -0.104452D+01 -0.766903D+00
               161           162           163           164           165 
      1   0.331136D+00 -0.766903D+00 -0.194921D+01  0.144553D+01  0.223976D+00
      2   0.671986D+00 -0.631785D+00  0.144553D+01 -0.372182D+01  0.507125D-01
      3  -0.631785D+00 -0.225605D-02  0.223976D+00  0.507125D-01 -0.492468D+00
               166           167           168           169           170 
      1   0.174832D+01 -0.150056D+01 -0.106548D+00  0.368157D+00 -0.171019D+00
      2  -0.150056D+01  0.675796D+01  0.149553D+00 -0.171019D+00  0.796779D+00
      3  -0.106548D+00  0.149553D+00  0.109419D+01 -0.151384D+00  0.898536D+00
               171           172           173           174           175 
      1  -0.151384D+00  0.763517D+01 -0.235623D+01 -0.137063D+01 -0.125181D+01
      2   0.898536D+00 -0.235623D+01  0.339859D+01  0.958793D-02  0.354274D+01
      3  -0.620843D-01 -0.137063D+01  0.958793D-02  0.391284D+00  0.260906D-01
               176           177           178           179           180 
      1   0.354274D+01  0.260906D-01 -0.235089D+01  0.700710D+00  0.167591D+01
      2   0.161569D+01 -0.741314D+00  0.700710D+00 -0.151000D+01 -0.575553D+00
      3  -0.741314D+00  0.833933D+00  0.167591D+01 -0.575553D+00 -0.605406D+00
               181           182           183           184           185 
      1  -0.376682D+00  0.296136D+00  0.999660D+00 -0.258526D+00  0.692865D+00
      2   0.296136D+00  0.251783D+00 -0.107692D+00  0.692865D+00  0.432271D+00
      3   0.999660D+00 -0.107692D+00 -0.318931D+00 -0.287570D-01  0.937089D+00
               186           187           188           189           190 
      1  -0.287570D-01  0.238660D+01 -0.178859D+00  0.134752D+01  0.263733D+01
      2   0.937089D+00 -0.178859D+00  0.151470D+01  0.111618D+01  0.206119D+01
      3  -0.877589D-01  0.134752D+01  0.111618D+01  0.840726D+01 -0.693183D+00
               191           192           193           194           195 
      1   0.206119D+01 -0.693183D+00  0.331700D+01  0.267647D+01 -0.194089D+00
      2   0.210627D+01 -0.197130D+00  0.267647D+01  0.545490D+01 -0.815690D+00
      3  -0.197130D+00  0.620215D+00 -0.194089D+00 -0.815690D+00  0.931649D+00
               196           197           198           199           200 
      1  -0.159552D+01 -0.383217D+00  0.868431D+00 -0.134724D+00 -0.440721D+00
      2  -0.383217D+00 -0.146484D+01  0.101136D+01 -0.440721D+00  0.258976D+00
      3   0.868431D+00  0.101136D+01 -0.160094D+00  0.504163D+00 -0.238877D+00
               201           202           203           204           205 
      1   0.504163D+00 -0.358926D+00 -0.320375D-02  0.370640D-01  0.135749D+01
      2  -0.238877D+00 -0.320375D-02 -0.130249D+01  0.786097D+00  0.328630D+00
      3   0.610880D+00  0.370640D-01  0.786097D+00 -0.824848D+00 -0.112817D+00
               206           207           208           209           210 
      1   0.328630D+00 -0.112817D+00 -0.171191D+01 -0.545684D+00  0.219883D+00
      2   0.320664D+01 -0.267606D+01 -0.545684D+00 -0.157707D+01  0.545816D-02
      3  -0.267606D+01  0.628953D+01  0.219883D+00  0.545816D-02 -0.228045D-01
               211           212           213           214           215 
      1  -0.227537D+01  0.699479D-01  0.170943D+00  0.511582D+00  0.671827D-01
      2   0.699479D-01 -0.592479D+01  0.185015D+00  0.671827D-01  0.789506D+00
      3   0.170943D+00  0.185015D+00 -0.124511D+01  0.211055D+00 -0.675155D+00
               216 
      1   0.211055D+00
      2  -0.675155D+00
      3   0.646357D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.135929D+01 -0.718238D-01 -0.866010D+00 -0.146750D+01  0.809864D+00
      2   0.154017D+01 -0.295791D+00  0.423639D+00 -0.434612D+00  0.221257D+01
      3  -0.356024D+01 -0.172459D+01 -0.116136D+01  0.358462D+01  0.212234D+01
                 6             7             8             9            10 
      1  -0.290738D+00 -0.553650D-01  0.399712D+01 -0.716220D+01  0.664443D+00
      2   0.596166D+00 -0.289254D+01  0.345809D+00 -0.824764D+01 -0.213012D+01
      3  -0.370880D+00  0.118598D+00 -0.132219D+01 -0.662026D+00  0.871971D+00
                11            12            13            14            15 
      1  -0.611535D+00 -0.253398D+00  0.288916D+00 -0.134416D+01 -0.100027D+01
      2  -0.111213D+01  0.122142D+01 -0.451347D-01 -0.233721D+01 -0.175687D+01
      3  -0.593552D+01 -0.721695D+00 -0.107679D+00 -0.392577D+00  0.205031D+01
                16            17            18            19            20 
      1  -0.675869D+00  0.231600D+01 -0.412654D+01 -0.102983D+01 -0.384459D+00
      2  -0.328917D+01 -0.130458D+01  0.108575D+02 -0.113775D+01  0.240054D+00
      3  -0.119286D+01  0.124013D+01  0.856691D+00  0.185774D+01  0.156928D+00
                21            22            23            24            25 
      1   0.694805D+00 -0.420020D+00 -0.186069D+01 -0.204139D+00  0.115962D+01
      2   0.132467D+01 -0.838683D+00  0.444049D+00 -0.220854D+00 -0.352907D+01
      3   0.134730D+01  0.601735D+01 -0.443691D+01 -0.120066D+01  0.139462D+01
                26            27            28            29            30 
      1   0.264989D+01  0.870612D+01  0.810727D+00 -0.396642D+00  0.151865D+01
      2  -0.982050D-01 -0.177941D+01 -0.230464D+01 -0.394804D+00 -0.455347D+00
      3   0.241967D+00 -0.836558D+00 -0.525456D+01 -0.853934D+01 -0.532035D+00
                31            32            33            34            35 
      1  -0.114219D+01  0.107806D+01  0.183090D+01  0.162230D+01  0.312690D+01
      2  -0.516951D+00 -0.153818D+01 -0.216146D+01 -0.496791D+01  0.175757D+01
      3  -0.580304D+01 -0.220136D+01  0.223358D+01 -0.461818D+00  0.115674D+01
                36            37            38            39            40 
      1  -0.368884D+01  0.100924D+01  0.492547D+00 -0.289350D+01  0.879195D+00
      2   0.144703D+02  0.823713D+00  0.418058D+00  0.841076D+01  0.197704D+00
      3  -0.365127D+00 -0.951791D+01 -0.707397D+01 -0.998771D+00  0.110383D+02
                41            42            43            44            45 
      1   0.707371D+00 -0.601660D+01  0.247368D+01  0.426593D+01 -0.950521D-01
      2   0.114192D+01  0.220578D+01 -0.508020D+01 -0.249554D+01  0.694583D+00
      3   0.529918D+01 -0.931936D+00 -0.358496D+01 -0.229680D+01 -0.285775D+00
                46            47            48            49            50 
      1  -0.598213D+00 -0.115720D+00  0.202522D+01 -0.659806D+00 -0.126653D+01
      2   0.124747D+01  0.967442D-01 -0.483250D+01 -0.597841D+00  0.152165D+01
      3   0.340467D+01  0.507501D+01  0.127548D+01  0.389879D+01  0.829953D+00
                51            52            53            54            55 
      1  -0.116629D+01 -0.118765D+01  0.295851D+01  0.124724D+02 -0.300165D+01
      2   0.125030D+00 -0.416398D+01 -0.154646D+01 -0.880499D+01 -0.607060D+01
      3  -0.127847D+01  0.265042D+01 -0.114997D+01 -0.115103D+00  0.143285D+02
                56            57            58            59            60 
      1   0.111563D+00  0.494735D+00  0.146592D+01 -0.197210D+01 -0.539995D+01
      2   0.170769D+01  0.157095D+01  0.312898D+00 -0.198945D+01 -0.263131D+01
      3  -0.192359D+01  0.242149D+01  0.783065D+01  0.866168D+01  0.104442D+01
                61            62            63            64            65 
      1   0.383258D+00  0.108044D+01 -0.215589D+01  0.668196D+00 -0.944958D-01
      2  -0.394888D+01 -0.149036D+01 -0.217997D+01  0.150433D+01 -0.239452D+00
      3   0.515709D+01  0.341942D+01  0.144947D+01  0.851002D+00 -0.125779D+01
                66            67            68            69            70 
      1  -0.520851D+00 -0.139351D+00  0.129249D+01 -0.762934D+00 -0.687597D-01
      2   0.816522D+00 -0.331605D-01  0.774555D+00  0.283172D+00 -0.382164D+01
      3  -0.666677D+00  0.978119D+00 -0.419809D+00 -0.949307D+00 -0.199444D+01
                71            72            73            74            75 
      1   0.366487D+01  0.734130D+01 -0.153153D+01 -0.551357D+00 -0.266545D+00
      2  -0.356176D+00  0.842936D+01  0.359583D+01  0.173953D+01  0.588573D+01
      3  -0.192352D+01  0.559338D+00  0.710465D+01 -0.357977D+01  0.228884D+00
                76            77            78            79            80 
      1  -0.227754D+01 -0.264196D+01 -0.910563D+00  0.531017D+00  0.394406D+01
      2   0.824247D+00  0.325953D+01 -0.211009D+01 -0.356518D+00 -0.512458D+00
      3   0.473207D+01  0.178918D+02 -0.206116D+01  0.109001D+01 -0.498942D+01
                81            82            83            84            85 
      1  -0.706979D+00  0.310219D+00  0.382421D+00  0.496950D+00  0.587710D+00
      2   0.253285D+01 -0.183520D+01 -0.275931D-02  0.351214D+00  0.258763D+00
      3   0.711171D+00 -0.104926D+00 -0.178417D+00 -0.272504D+00  0.171836D+01
                86            87            88            89            90 
      1   0.623438D+00 -0.170482D+01  0.107886D+00  0.411110D+01  0.280158D+01
      2  -0.160739D+01  0.365545D+00 -0.350627D+01  0.556339D+00 -0.118170D+02
      3   0.283554D+00  0.116913D+01 -0.666231D+00  0.280695D+01 -0.104040D+00
                91            92            93            94            95 
      1  -0.153408D+01  0.107997D+00  0.266136D+00 -0.143690D+00 -0.134069D+01
      2   0.261137D+00  0.668385D+00  0.762854D+00  0.606315D+00  0.234464D+00
      3   0.234285D-01 -0.158635D+01  0.108981D+01  0.476967D+00  0.462324D+00
                96            97            98            99           100 
      1  -0.446878D+00 -0.392856D+00  0.371489D+01 -0.943007D+01  0.225680D+01
      2  -0.384573D+00 -0.464889D+01  0.861030D-01  0.177025D+01  0.257161D+00
      3  -0.137071D+00  0.247271D+01 -0.816063D+00  0.272737D+00  0.136533D+02
               101           102           103           104           105 
      1  -0.852962D+00 -0.352932D+01 -0.549577D+00  0.440308D+01 -0.398053D+01
      2  -0.141485D+01  0.316654D+01  0.442178D+00  0.402715D+00  0.150192D+01
      3  -0.101457D+02 -0.169273D+01 -0.466310D+00  0.884548D+01  0.108433D+01
               106           107           108           109           110 
      1  -0.226786D+01  0.214360D+01  0.220468D+01 -0.163174D+01 -0.119595D+01
      2  -0.224869D+01  0.107956D+01 -0.571201D+00  0.425803D+01  0.107746D+01
      3  -0.426704D+01  0.149444D+01  0.112323D+01  0.282904D+01  0.628198D+01
               111           112           113           114           115 
      1  -0.226804D+01 -0.248115D+01 -0.310957D+01  0.670317D+00 -0.277426D-01
      2   0.228454D+01  0.146892D+01  0.512014D+01  0.252894D-01 -0.641299D+01
      3  -0.332921D+00  0.153720D+02  0.417297D+01 -0.387543D+01  0.112226D+01
               116           117           118           119           120 
      1   0.213220D+01  0.504995D+01  0.287068D+00  0.431573D+00  0.364106D+00
      2  -0.333285D+01 -0.199833D+02 -0.108946D+01  0.224676D+00  0.195259D+01
      3  -0.485843D+01  0.348169D+01 -0.913201D-01  0.227203D+00 -0.430703D+00
               121           122           123           124           125 
      1   0.218398D+00  0.600721D-01 -0.685528D+00 -0.526754D-01  0.395900D+01
      2  -0.390869D+00 -0.162251D+01  0.265554D+00 -0.357201D+01 -0.159772D-01
      3   0.249051D+01 -0.704035D+00  0.148847D+01 -0.215348D+00  0.285567D+01
               126           127           128           129           130 
      1   0.237863D+01  0.636152D-01  0.136238D+00 -0.193739D+01  0.233125D+00
      2  -0.110590D+02  0.787896D-01 -0.169676D+01  0.490394D+01  0.532896D+00
      3  -0.932034D+00  0.269995D+01 -0.189767D+01  0.820125D+00  0.944455D+01
               131           132           133           134           135 
      1   0.186561D-01 -0.415161D+01  0.765365D-01  0.576155D+01 -0.171890D+02
      2   0.329354D-01  0.898328D-02 -0.129231D-01 -0.845450D+00  0.490871D+01
      3  -0.423889D+01 -0.669485D-01  0.545201D+00 -0.591350D+00  0.192029D+01
               136           137           138           139           140 
      1  -0.199172D+01 -0.185065D+00 -0.473128D+00  0.285674D+00 -0.111565D+01
      2   0.910221D+00  0.207240D+00  0.888747D+00  0.557991D+00  0.652794D+00
      3  -0.707937D-01 -0.168557D+01  0.192586D+01  0.249681D+00  0.344229D+00
               141           142           143           144           145 
      1  -0.925612D+00 -0.150670D+00  0.257934D+01 -0.116866D+02  0.169712D+01
      2  -0.122782D-01 -0.406351D+01  0.814851D+00  0.679254D+01  0.483052D+01
      3  -0.539950D+00  0.336498D+01 -0.508714D+00  0.444700D+00 -0.178644D+02
               146           147           148           149           150 
      1   0.152421D-01  0.248318D+01  0.149691D-01  0.537687D+00 -0.699282D-01
      2  -0.491013D+00  0.446093D+01  0.179444D+00  0.564523D+00 -0.715806D-01
      3  -0.303254D+01 -0.178524D+01 -0.199308D+01 -0.236889D+01 -0.699704D+00
               151           152           153           154           155 
      1   0.187772D+01  0.214967D+00  0.288433D+00  0.932724D+00  0.974174D+00
      2   0.213769D+01 -0.810159D+00  0.769117D+00 -0.920399D+00 -0.731499D+00
      3  -0.383877D+01 -0.116631D+01 -0.128812D+01 -0.445056D+01 -0.552535D+01
               156           157           158           159           160 
      1  -0.105748D+01  0.155569D+01  0.263246D+01 -0.222123D+01 -0.102862D+01
      2   0.191326D+01 -0.900405D+00 -0.214879D+01  0.366007D+01  0.102769D+01
      3  -0.121467D+00 -0.454041D+01 -0.190821D+02  0.110953D+01  0.111996D+00
               161           162           163           164           165 
      1  -0.185620D-01  0.387466D+00 -0.137620D+01  0.120269D+01  0.226563D+01
      2   0.190983D+01  0.104136D-01 -0.318355D+00  0.638026D+00 -0.852821D-01
      3   0.266785D+01 -0.101551D+01 -0.104703D+02  0.747661D+01  0.103368D+01
               166           167           168           169           170 
      1   0.109676D+01 -0.214645D+01 -0.378070D+01  0.637734D+00 -0.164149D+01
      2   0.358688D+00 -0.844113D+00 -0.178108D+00 -0.100953D+01  0.179002D+00
      3   0.849792D+01 -0.109410D+02 -0.557486D+00  0.204681D+01 -0.136919D+01
               171           172           173           174           175 
      1  -0.133165D+00 -0.472931D+00 -0.485391D+00  0.337308D+01  0.432791D+00
      2  -0.219296D+00 -0.447944D+01  0.125389D+01  0.678364D+01 -0.925250D+00
      3  -0.957226D+00  0.191895D+01 -0.187470D+02 -0.258422D+00 -0.105663D+02
               176           177           178           179           180 
      1  -0.241959D+01 -0.329557D+01 -0.882551D-01  0.414461D+01 -0.192628D+01
      2  -0.259485D+01 -0.393043D+00  0.238661D+01 -0.185939D+01 -0.304706D+01
      3  -0.861535D+01  0.274257D+01 -0.231276D-01  0.602343D+01  0.159427D+01
               181           182           183           184           185 
      1  -0.261694D+00 -0.380480D-01 -0.367105D-01  0.295723D+00 -0.227460D+00
      2   0.384177D+01 -0.728272D+00 -0.421813D+00 -0.207093D+00  0.244912D+01
      3  -0.124988D+01 -0.120689D+01  0.701727D+00 -0.876174D+00 -0.826338D+00
               186           187           188           189           190 
      1  -0.163233D+00 -0.102949D+01  0.359300D+01 -0.391209D+01  0.138540D+01
      2  -0.164850D+00 -0.145151D+01  0.356909D+01  0.229604D+02 -0.247991D+01
      3  -0.232789D+01  0.161382D+01 -0.436837D+01 -0.291425D+01 -0.426419D+01
               191           192           193           194           195 
      1   0.800218D+00 -0.129637D+01  0.107783D+01  0.219388D+01 -0.267132D+01
      2  -0.103840D+01  0.287337D+01 -0.108456D+01 -0.334976D+01  0.353740D+01
      3  -0.601218D+01  0.193840D+00 -0.327283D+01 -0.163366D+02  0.251791D+01
               196           197           198           199           200 
      1  -0.859398D+00 -0.115533D+00  0.468293D+00  0.157075D+01 -0.385006D+00
      2   0.164275D+01  0.303274D+01 -0.768336D+00 -0.112014D+01 -0.197277D+00
      3  -0.339976D+00  0.459830D+01 -0.246138D+01 -0.663465D+00  0.511089D+00
               201           202           203           204           205 
      1   0.206042D+01  0.159083D+00  0.291523D+01 -0.257152D+01 -0.348758D+00
      2  -0.683379D+00 -0.553962D+00 -0.110570D+01  0.901071D+00 -0.248421D+01
      3  -0.151155D+01  0.916861D+00 -0.118205D+01  0.668210D+00 -0.374546D+01
               206           207           208           209           210 
      1  -0.576110D+01  0.196598D+02  0.413991D+00  0.713790D+00 -0.644180D+00
      2   0.259849D+01 -0.581223D+01  0.896164D+00 -0.102855D+00 -0.836395D+00
      3   0.203210D+01 -0.253436D+01  0.729824D+01  0.789392D+01 -0.378651D+00
               211           212           213           214           215 
      1   0.529708D+00  0.234665D+01 -0.276186D+01  0.852850D-01 -0.391818D+00
      2   0.788477D+00  0.326980D+00 -0.339098D+01 -0.858342D+00 -0.198284D+01
      3   0.550312D+01  0.235534D+02 -0.950074D+00 -0.135849D+01 -0.317666D+01
               216 
      1   0.280539D+00
      2  -0.680799D-01
      3   0.205793D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.547707D+01 -0.165352D+01  0.477203D+00  0.559343D+01 -0.183267D+01
      2  -0.589292D+01  0.959794D+01 -0.103131D+01  0.155416D+01 -0.484019D+01
      3   0.415854D+00 -0.794442D+01  0.554111D+00 -0.714758D+01  0.667286D+01
      4   0.584266D+01 -0.125613D+02 -0.161702D+01 -0.157181D+02  0.783184D+01
      5   0.333703D+01 -0.173823D+01 -0.209196D+01 -0.346898D+01  0.178083D+01
      6  -0.139131D+01  0.271582D+01  0.250835D+01  0.303733D+01 -0.327890D+01
                 6             7             8             9            10 
      1   0.477773D+00  0.333968D+01  0.501316D+00  0.685970D+01 -0.190869D+02
      2  -0.229086D+00  0.122236D+01 -0.550918D+01  0.520897D+01  0.915439D+01
      3  -0.248687D+00 -0.456205D+01  0.500786D+01 -0.120687D+02  0.993251D+01
      4   0.253301D+01 -0.432002D+01  0.698651D+01  0.100455D+01 -0.693973D+01
      5   0.214820D+01  0.842275D+00  0.192873D+01 -0.198534D+02 -0.688385D+01
      6  -0.423567D+01  0.997815D+00 -0.284585D+00  0.175691D+02 -0.120759D+01
                11            12            13            14            15 
      1  -0.701895D+01 -0.187713D+01 -0.967784D+01  0.736353D+01  0.977415D+00
      2   0.302607D+01  0.408443D+01  0.622174D+01 -0.343566D+01 -0.572585D+00
      3   0.399288D+01 -0.220730D+01  0.345610D+01 -0.392786D+01 -0.404829D+00
      4  -0.222818D+01 -0.828271D+00  0.613686D+01  0.295833D+01 -0.908196D+00
      5  -0.143897D+01 -0.138376D+01 -0.160720D+00 -0.396130D+00 -0.405488D+01
      6  -0.199864D+01  0.478911D+00 -0.651445D+00 -0.838299D+00 -0.492849D+00
                16            17            18            19            20 
      1  -0.116543D+02 -0.215065D+01  0.835580D+01 -0.805997D+01  0.763749D+01
      2   0.565338D+01 -0.511799D+00  0.535994D+01  0.592531D+01 -0.123480D+02
      3   0.600096D+01  0.266245D+01 -0.137157D+02  0.213466D+01  0.471048D+01
      4  -0.123736D+01 -0.134307D+01 -0.153420D+01  0.242886D+01 -0.233148D+01
      5   0.379477D-01 -0.217506D+01  0.278036D+02  0.163181D+01  0.128102D+01
      6   0.739471D-01 -0.500891D+00  0.109458D+02  0.109956D+01  0.162565D+01
                21            22            23            24            25 
      1  -0.938150D+00  0.507686D+01  0.381634D+01 -0.332214D+01 -0.117574D+01
      2  -0.933466D+00 -0.990370D+01 -0.102085D+02  0.942823D+00  0.335512D+01
      3   0.187162D+01  0.482684D+01  0.639219D+01  0.237932D+01 -0.217938D+01
      4   0.114651D+01 -0.518379D+01 -0.938815D+01 -0.114579D+00  0.293491D+01
      5  -0.121863D+01  0.169588D+01  0.125111D+01 -0.765937D+00  0.624931D+00
      6  -0.151705D+01 -0.171582D+00  0.465291D+01 -0.317529D+01 -0.111583D+01
                26            27            28            29            30 
      1  -0.327607D+01  0.528500D+01 -0.113529D+02 -0.960811D+00 -0.404668D+01
      2   0.784091D+01  0.863527D+01  0.453400D+01  0.292100D+00  0.244355D+01
      3  -0.456483D+01 -0.139203D+02  0.681889D+01  0.668711D+00  0.160314D+01
      4   0.276117D+01 -0.128105D+00 -0.555512D+01 -0.602861D+00 -0.187944D+01
      5   0.558151D-01 -0.450110D+01 -0.551164D+01 -0.110686D+01 -0.513948D+01
      6   0.165980D+01 -0.217380D+02 -0.250023D+01  0.104816D-01 -0.252913D+01
                31            32            33            34            35 
      1   0.197529D+00  0.144273D+02  0.513893D-01 -0.386358D+01 -0.171627D+00
      2   0.911301D+00 -0.147430D+02 -0.199738D+01 -0.120685D+00 -0.166032D+01
      3  -0.110883D+01  0.315708D+00  0.194599D+01  0.398426D+01  0.183194D+01
      4  -0.346117D+01  0.380265D+00 -0.202502D+01  0.879077D+00 -0.800038D+00
      5   0.172674D+01 -0.174520D+01 -0.555937D+01 -0.198795D+01  0.707771D+00
      6  -0.335992D-02  0.863469D+00 -0.491368D+01 -0.139811D+01  0.173461D+00
                36            37            38            39            40 
      1   0.577875D+01  0.165296D+02 -0.299358D+01 -0.618309D+00 -0.102079D+01
      2   0.638972D+01 -0.111030D+02  0.263141D+01 -0.160758D+01  0.340682D+00
      3  -0.121685D+02 -0.542657D+01  0.362165D+00  0.222589D+01  0.680109D+00
      4   0.113372D+01 -0.864614D+01  0.102379D+02 -0.148171D+01  0.107580D+02
      5   0.268367D+02  0.208747D+01 -0.865244D-02  0.135578D+02 -0.127669D+01
      6   0.402833D+01 -0.855454D+00  0.192557D+01  0.592202D+01  0.292716D-01
                41            42            43            44            45 
      1  -0.109972D+02  0.300174D+01  0.528918D+01  0.355993D+01 -0.357604D+01
      2   0.156237D+02 -0.589506D+00 -0.528738D+01 -0.386700D+01 -0.319277D+01
      3  -0.462651D+01 -0.241223D+01 -0.179794D-02  0.307068D+00  0.676881D+01
      4  -0.164432D+01  0.106711D+01 -0.392123D+01  0.118448D+01 -0.234619D+01
      5   0.560823D+00  0.534147D+01  0.540966D+01 -0.349839D+00  0.694517D+00
      6  -0.314077D+01  0.883452D+01 -0.719065D+00  0.501849D+01  0.107885D+01
                46            47            48            49            50 
      1  -0.161350D+02  0.841954D+01  0.425881D+01 -0.966279D+00  0.639327D+01
      2   0.147736D+02 -0.945840D+01 -0.835409D+00 -0.347716D+01 -0.180112D+02
      3   0.136141D+01  0.103886D+01 -0.342340D+01  0.444344D+01  0.116179D+02
      4   0.532422D+01 -0.491458D+01  0.703938D+00 -0.957146D+01 -0.972908D+01
      5   0.550468D-01 -0.872538D-01 -0.957546D+01  0.136744D+01  0.765628D+00
      6   0.161706D+00 -0.241980D+01 -0.517763D+01  0.892704D+00  0.196687D+01
                51            52            53            54            55 
      1  -0.661034D+00  0.140852D+01 -0.419298D+00  0.671405D+01 -0.215370D+02
      2   0.104870D+01  0.898954D+00  0.747097D+01  0.797894D+01  0.164244D+02
      3  -0.387667D+00 -0.230747D+01 -0.705168D+01 -0.146930D+02  0.511265D+01
      4   0.161830D+01  0.277092D+01  0.270416D+00  0.581391D+00  0.481982D+01
      5   0.435305D+00 -0.192336D+01 -0.120360D+01 -0.146939D+02 -0.687084D+01
      6  -0.231442D+01 -0.753509D+00 -0.892987D+00 -0.288674D+02  0.698327D+01
                56            57            58            59            60 
      1  -0.835147D+00 -0.513083D+01 -0.654429D+01 -0.885031D+01 -0.359601D+01
      2  -0.459043D+01  0.366389D+01 -0.343446D+01  0.253276D+02  0.246146D+01
      3   0.542558D+01  0.146693D+01  0.997875D+01 -0.164773D+02  0.113455D+01
      4   0.164330D+02  0.508049D+01  0.250898D+02 -0.309512D+02 -0.501618D+01
      5   0.192952D+01  0.470929D+01  0.244864D+01 -0.509089D+01 -0.464980D+01
      6  -0.195186D+01 -0.910190D+00 -0.270048D+01  0.701852D+01  0.100058D+02
                61            62            63            64            65 
      1  -0.954730D+01 -0.231740D+01 -0.469568D+01 -0.399356D+00 -0.398685D+00
      2   0.333741D+01  0.676410D+01  0.118785D+01 -0.211349D+01 -0.588568D+00
      3   0.620988D+01 -0.444670D+01  0.350782D+01  0.251285D+01  0.987253D+00
      4   0.130585D+02 -0.114699D+02 -0.597862D+01 -0.445483D+00  0.337009D+01
      5   0.631714D+01 -0.680549D+01 -0.462196D+01  0.277802D+01 -0.647991D+00
      6  -0.369789D+01  0.104851D+02  0.460757D+01 -0.207360D+01 -0.341365D+00
                66            67            68            69            70 
      1   0.271710D+01 -0.272247D+00 -0.256882D+01  0.190217D+01  0.329001D+01
      2  -0.138594D+01 -0.688639D+00  0.662013D+00 -0.259534D+01 -0.229345D+01
      3  -0.133116D+01  0.960886D+00  0.190681D+01  0.693170D+00 -0.996563D+00
      4  -0.218645D+01  0.318565D+01 -0.109347D+01  0.251329D+01 -0.381388D+01
      5   0.602527D+01  0.598805D-01  0.229804D+01  0.247400D-01  0.485816D+01
      6   0.761224D+00  0.418144D+00 -0.315895D+01  0.665086D+01 -0.116959D+01
                71            72            73            74            75 
      1   0.291672D+01 -0.144216D+02  0.531341D+02  0.282326D+00  0.459162D+01
      2  -0.268000D+01 -0.132114D+02 -0.332059D+02 -0.174092D+01 -0.550563D+01
      3  -0.236718D+00  0.276330D+02 -0.199282D+02  0.145859D+01  0.914011D+00
      4   0.431588D+01 -0.133572D+01  0.382202D+01  0.226727D+01  0.204742D+01
      5  -0.170917D+01  0.188719D+02  0.977656D+01  0.184064D+01  0.103083D+02
      6   0.526032D+01 -0.177085D+02  0.140451D+01  0.110206D+01  0.139806D+00
                76            77            78            79            80 
      1  -0.127736D+02 -0.464177D+01 -0.131392D+01  0.158398D+02  0.228249D+01
      2   0.433481D+01 -0.158932D+01  0.177213D+01 -0.100545D+02  0.493844D+00
      3   0.843879D+01  0.623109D+01 -0.458209D+00 -0.578532D+01 -0.277634D+01
      4  -0.820980D+01 -0.261392D+02  0.433164D+01  0.573772D+01  0.784558D+01
      5   0.232818D-01  0.527349D+01 -0.332931D+01  0.138573D+02  0.558146D+00
      6  -0.848567D-01  0.635637D+00  0.270005D+01  0.188772D+01  0.306419D+01
                81            82            83            84            85 
      1   0.491810D+01  0.224478D+01  0.125323D+01 -0.440061D+01  0.134225D+01
      2  -0.793145D+01 -0.373038D+01 -0.793874D+00  0.223348D+01 -0.774810D+00
      3   0.301335D+01  0.148560D+01 -0.459359D+00  0.216713D+01 -0.567438D+00
      4   0.613978D+00  0.104884D+01  0.743675D+00 -0.700315D+00  0.121490D+01
      5   0.548051D+01 -0.376347D+01 -0.226928D+00  0.535272D+01 -0.101777D-01
      6   0.132505D+01 -0.715939D+00  0.265065D+00 -0.730949D+00 -0.824938D+00
                86            87            88            89            90 
      1  -0.426551D+01  0.152333D+01 -0.592227D+01  0.124426D+01 -0.146340D+02
      2   0.899175D+00 -0.105719D+01  0.463703D+01 -0.814872D+00 -0.141554D+02
      3   0.336634D+01 -0.466140D+00  0.128524D+01 -0.429385D+00  0.287893D+02
      4   0.781779D-01 -0.355233D+01 -0.223355D+01 -0.493008D+01  0.119188D+01
      5  -0.375090D+01  0.105534D+01  0.594520D+01  0.196223D+01 -0.268691D+02
      6  -0.176968D+01  0.794016D+01  0.454011D+00  0.511131D+01 -0.824489D+01
                91            92            93            94            95 
      1   0.148144D+01 -0.113754D+01  0.862922D+00 -0.161751D+01 -0.330362D+01
      2  -0.415415D+01  0.152536D+01 -0.233521D+00  0.187780D+01  0.121350D+01
      3   0.267272D+01 -0.387826D+00 -0.629401D+00 -0.260282D+00  0.209012D+01
      4  -0.533736D+00  0.162579D+01  0.225031D+01  0.182803D+01  0.102151D+01
      5   0.854693D+00  0.474553D+00  0.615758D+01 -0.104211D-01  0.617092D+00
      6   0.281181D+01  0.967955D-03 -0.340664D+00  0.300386D+00  0.287133D+01
                96            97            98            99           100 
      1  -0.178239D+01  0.760348D+00 -0.429802D+01 -0.153064D+02  0.994953D+01
      2   0.349579D+01 -0.122821D+01  0.529891D+01 -0.145545D+02 -0.492562D+01
      3  -0.171340D+01  0.467859D+00 -0.100090D+01  0.298609D+02 -0.502391D+01
      4   0.848347D+00  0.340163D+01  0.136617D+01  0.297261D+00  0.176908D+02
      5  -0.327059D+00  0.445853D+01  0.156593D+00  0.503045D+01 -0.189678D+01
      6   0.581408D+01  0.956303D+00  0.519127D+01  0.213268D+02 -0.436344D+01
               101           102           103           104           105 
      1  -0.190245D+02  0.466584D+00 -0.115544D+02 -0.528302D+01  0.479921D+01
      2   0.330271D+02  0.116877D+01  0.214664D+02  0.128115D+02 -0.370579D+01
      3  -0.140026D+02 -0.163535D+01 -0.991195D+01 -0.752853D+01 -0.109342D+01
      4   0.113781D+02 -0.359868D+01  0.116613D+02  0.239956D+02 -0.971647D+00
      5  -0.681388D+00  0.616576D+01 -0.742619D+00 -0.271868D+01  0.201900D+01
      6  -0.127696D+01  0.546585D+01  0.475032D-01 -0.692609D+01  0.783763D+01
               106           107           108           109           110 
      1  -0.509555D+00  0.910056D+01 -0.458341D+01  0.553259D+01  0.320033D+01
      2  -0.359063D+00 -0.134721D+02  0.151800D+01 -0.579156D+01 -0.213196D+01
      3   0.868618D+00  0.437155D+01  0.306541D+01  0.258971D+00 -0.106837D+01
      4  -0.567825D+01 -0.406035D+01  0.455347D+01  0.696436D+01 -0.168323D+02
      5   0.476995D+01  0.268633D+01 -0.111286D+01  0.130836D+02  0.168514D+01
      6   0.546046D+01  0.103695D+02 -0.463330D+01  0.312514D+01  0.216796D+01
               111           112           113           114           115 
      1   0.605154D+01  0.114420D+02 -0.207571D+02  0.196392D+01  0.142276D+02
      2  -0.592680D+01 -0.898718D+01  0.524486D+01  0.346852D+01 -0.418547D+01
      3  -0.124742D+00 -0.245481D+01  0.155122D+02 -0.543245D+01 -0.100421D+02
      4   0.289949D+01 -0.283245D+02 -0.146376D+02  0.718561D+01 -0.238966D+01
      5   0.930246D+00 -0.923956D+00  0.800644D+01  0.122833D+01 -0.408147D+01
      6   0.444171D+01  0.787974D+00  0.139106D+01 -0.328562D+01 -0.645172D+00
               116           117           118           119           120 
      1   0.590731D+00  0.829972D+01  0.370137D+01  0.866055D+00 -0.254351D+01
      2   0.178828D+01  0.103340D+02 -0.477962D+01 -0.739394D+00  0.153213D+01
      3  -0.237901D+01 -0.186337D+02  0.107825D+01 -0.126660D+00  0.101138D+01
      4   0.970674D+01 -0.885301D+01  0.549093D+00  0.136385D+01  0.379516D+00
      5  -0.711201D+01 -0.385494D+02 -0.308225D+01  0.285816D+00  0.781144D+01
      6  -0.674946D+00 -0.323805D+01 -0.212842D+00 -0.842252D-01 -0.460668D+00
               121           122           123           124           125 
      1   0.111761D+01 -0.443731D+01 -0.672150D+00 -0.495979D+01  0.897657D+00
      2  -0.949673D+00  0.146390D+01  0.160066D+00  0.591357D+01 -0.114728D+00
      3  -0.167935D+00  0.297341D+01  0.512085D+00 -0.953778D+00 -0.782928D+00
      4   0.164150D+01  0.317669D+00 -0.217559D+01 -0.302505D+00 -0.293130D+01
      5  -0.680077D+00 -0.306666D+01  0.102134D+01  0.709439D+01  0.602679D+00
      6  -0.691878D+00 -0.336896D+00  0.688080D+01  0.758552D+00  0.428591D+01
               126           127           128           129           130 
      1  -0.144515D+02  0.551293D+01 -0.387000D+01  0.116277D+01 -0.114596D+01
      2  -0.143819D+02  0.275492D+01  0.912440D+01 -0.628668D+00  0.724607D+01
      3   0.288334D+02 -0.826785D+01 -0.525440D+01 -0.534106D+00 -0.610011D+01
      4   0.159008D+00  0.683380D+01  0.147625D+02 -0.314253D+00  0.168307D+02
      5  -0.219872D+02 -0.113768D+01 -0.958449D+00  0.563545D+01 -0.106573D+01
      6  -0.248884D+01 -0.635850D+00 -0.190423D+01  0.386556D+01 -0.331872D+00
               131           132           133           134           135 
      1  -0.302877D+02 -0.617090D+00 -0.871433D-01 -0.667302D+01  0.600117D+01
      2   0.571246D+02  0.119657D+01  0.628444D+00  0.570222D+01 -0.644501D+00
      3  -0.268369D+02 -0.579475D+00 -0.541300D+00  0.970807D+00 -0.535667D+01
      4   0.215130D+02 -0.200476D+00  0.124434D+01  0.179870D+01  0.962434D+00
      5  -0.302503D-01  0.205742D+00  0.371743D+01 -0.558459D+00  0.841620D+01
      6  -0.406438D+00  0.588220D+01  0.214847D+01 -0.243251D+00  0.291080D+02
               136           137           138           139           140 
      1   0.483973D+00 -0.703551D+00  0.132432D+01 -0.119861D+01 -0.511413D+01
      2  -0.305983D+01  0.766934D+00 -0.319901D+00  0.143909D+01  0.379231D+01
      3   0.257586D+01 -0.633835D-01 -0.100442D+01 -0.240481D+00  0.132182D+01
      4  -0.184069D+00  0.291859D+01  0.325248D+01  0.227031D+01  0.181635D+01
      5   0.168045D+01  0.105253D+01  0.711832D+01  0.848770D-01  0.112477D+01
      6   0.400262D+01  0.213327D+00  0.828513D+00  0.133665D+00  0.392430D+01
               141           142           143           144           145 
      1  -0.196864D+01  0.713962D+00 -0.673110D+01 -0.175590D+02  0.434440D+02
      2   0.350887D+01 -0.693748D+00  0.461453D+01 -0.109807D+02 -0.203782D+02
      3  -0.154023D+01 -0.202137D-01  0.211657D+01  0.285397D+02 -0.230657D+02
      4   0.931689D+00  0.445795D+01  0.325918D+01  0.123093D+01 -0.318018D+02
      5  -0.198104D+00  0.508041D+01  0.220858D+01  0.108764D+02  0.183641D+01
      6   0.695927D+01  0.167147D+01  0.933755D+01  0.267710D+02 -0.332940D+01
               146           147           148           149           150 
      1  -0.406818D+01  0.401542D+01  0.254577D+01  0.214196D+01  0.661991D+00
      2  -0.259931D+01 -0.153706D+01 -0.363690D+01  0.572814D+00 -0.811226D+00
      3   0.666749D+01 -0.247836D+01  0.109113D+01 -0.271478D+01  0.149235D+00
      4   0.124551D+02 -0.197013D+01  0.423340D+01 -0.234909D+01  0.991609D+00
      5   0.119088D+00  0.613010D+01  0.143044D-01  0.101314D+01 -0.393506D+00
      6  -0.350140D+00 -0.451146D+01 -0.958636D-01 -0.791664D+00  0.293033D+00
               151           152           153           154           155 
      1   0.733093D+01 -0.361352D-01  0.342350D+01  0.144831D+02  0.951956D+01
      2  -0.366727D+01 -0.124801D+01 -0.286095D+01 -0.432056D+01 -0.171161D+01
      3  -0.366366D+01  0.128414D+01 -0.562555D+00 -0.101625D+02 -0.780794D+01
      4  -0.591748D+01  0.258120D+01 -0.379374D+01  0.141310D+02  0.156337D+02
      5   0.693778D+01 -0.157877D+01  0.132649D+01 -0.642184D+00 -0.121821D+00
      6  -0.380760D+01  0.225735D+01 -0.509291D+00  0.992012D-01  0.653155D+00
               156           157           158           159           160 
      1  -0.110981D+01  0.192859D+02  0.935650D+01  0.245092D+00 -0.344735D+01
      2   0.302550D+00 -0.512523D+01  0.611657D+01 -0.133718D+01  0.148119D+01
      3   0.807257D+00 -0.141607D+02 -0.154731D+02  0.109209D+01  0.196616D+01
      4  -0.518770D+00  0.249320D+02  0.349778D+02 -0.132298D+01 -0.300761D+01
      5   0.344421D+01  0.550245D+00 -0.168547D+01  0.596731D+01  0.548276D+01
      6   0.134435D+01  0.107976D+01  0.108782D+01  0.272003D+01  0.225539D+01
               161           162           163           164           165 
      1  -0.117865D+01  0.165495D+01 -0.550366D+01  0.149999D+02 -0.100615D+00
      2  -0.548970D+00 -0.138078D+01  0.930890D+01 -0.239502D+02 -0.550717D+00
      3   0.172762D+01 -0.274175D+00 -0.380524D+01  0.895033D+01  0.651333D+00
      4  -0.411813D+01  0.437580D+01 -0.822840D+01  0.699789D+01  0.100746D+01
      5   0.418646D+01 -0.189468D-01  0.480606D+00 -0.658327D+00 -0.585805D+00
      6   0.338137D+01 -0.492188D+00  0.124751D+01  0.291831D-01 -0.306126D+01
               166           167           168           169           170 
      1   0.775608D+01 -0.258221D+02 -0.583197D+00  0.849996D+00 -0.339324D+01
      2  -0.117075D+02  0.434965D+02  0.165433D+01 -0.130459D+01  0.516029D+01
      3   0.395144D+01 -0.176744D+02 -0.107114D+01  0.454595D+00 -0.176705D+01
      4   0.796747D+01 -0.583868D+01 -0.254330D+00  0.140180D+01 -0.488893D+00
      5  -0.520844D+00  0.856509D+00  0.382909D+00  0.119760D+01  0.582319D-01
      6  -0.493215D+00  0.901494D+00  0.578736D+01 -0.157962D+01  0.679836D+01
               171           172           173           174           175 
      1  -0.411313D+01  0.607212D+02 -0.914504D+01 -0.709782D+01 -0.965545D+01
      2   0.394703D+01 -0.319458D+02 -0.151382D+01  0.651271D+01  0.106809D+01
      3   0.166096D+00 -0.287754D+02  0.106589D+02  0.585113D+00  0.858736D+01
      4  -0.869429D+00 -0.234243D+02  0.284531D+02  0.122240D+01  0.295628D+02
      5  -0.445847D+00 -0.104380D+02  0.558429D+00  0.133289D+02  0.115231D+01
      6   0.263820D+00  0.931068D+00 -0.650736D+00 -0.437731D+01 -0.498614D+00
               176           177           178           179           180 
      1   0.258914D+02 -0.362475D+01 -0.154397D+02  0.109888D+01  0.724765D+01
      2  -0.157008D+02  0.706275D+00  0.862479D+01  0.149847D+01 -0.976229D+01
      3  -0.101906D+02  0.291848D+01  0.681487D+01 -0.259735D+01  0.251464D+01
      4   0.284961D+01 -0.494472D+01  0.682037D+01 -0.101887D+02 -0.495149D+01
      5  -0.629021D+01 -0.229777D+00  0.177089D+02 -0.527339D+01 -0.644315D+01
      6   0.248243D+01  0.695732D+01 -0.367206D+01  0.470422D+01  0.347445D+01
               181           182           183           184           185 
      1  -0.121068D+01  0.143681D+01  0.741525D+01 -0.179113D+01  0.271746D+00
      2  -0.185371D+01 -0.480610D+00 -0.338208D+01  0.163260D+01 -0.128851D+01
      3   0.306439D+01 -0.956197D+00 -0.403317D+01  0.158531D+00  0.101676D+01
      4   0.133721D+01  0.308651D+01 -0.106854D+00  0.533721D+01  0.265600D+01
      5   0.610079D+01 -0.129985D+00  0.420102D+01 -0.163360D+00  0.477084D+01
      6  -0.957968D-01 -0.586214D+00 -0.248539D+00  0.647686D+00  0.778829D+00
               186           187           188           189           190 
      1  -0.104342D+01  0.108288D+02 -0.397939D+01 -0.126346D+02  0.180473D+02
      2   0.456606D+00 -0.900204D+01  0.482805D-01 -0.174337D+02 -0.634036D+01
      3   0.586812D+00 -0.182672D+01  0.393111D+01  0.300683D+02 -0.117069D+02
      4   0.480926D+01  0.179005D+00  0.783425D+01  0.787741D+01  0.160248D+02
      5  -0.729059D+00  0.127500D+02  0.625092D+01  0.458585D+02 -0.419262D+01
      6   0.554792D+01  0.924938D+00  0.548515D+01  0.426344D+01 -0.100624D+01
               191           192           193           194           195 
      1   0.114489D+02 -0.417156D+01  0.170176D+02  0.829440D+01 -0.493984D+00
      2  -0.342403D+01  0.133012D+01 -0.547922D+01  0.592687D+01 -0.131615D+01
      3  -0.802487D+01  0.284144D+01 -0.115384D+02 -0.142213D+02  0.181014D+01
      4   0.175211D+02 -0.189505D+01  0.218579D+02  0.347233D+02 -0.508406D+01
      5  -0.134907D+01  0.510184D+01 -0.125907D+01 -0.471962D+01  0.610573D+01
      6  -0.342134D+00  0.154442D+01 -0.293854D+00 -0.155158D+01  0.341258D+01
               196           197           198           199           200 
      1  -0.860955D+01 -0.140707D+01  0.179372D+01 -0.130711D+01  0.249079D+01
      2   0.391718D+01 -0.492631D+00 -0.236905D+01  0.800105D+00 -0.232693D+01
      3   0.469237D+01  0.189971D+01  0.575329D+00  0.507004D+00 -0.163866D+00
      4  -0.368101D+01 -0.902869D+01  0.657376D+01  0.572921D+00  0.306358D+01
      5   0.672566D+01  0.670133D+01 -0.163783D+01 -0.495776D+00 -0.944287D+00
      6   0.205776D+01  0.379294D+01 -0.191627D+01 -0.289136D+01  0.151485D+01
               201           202           203           204           205 
      1  -0.235521D+01  0.739144D+00 -0.518229D+01  0.277480D+01 -0.181929D+01
      2   0.121807D+01 -0.512000D+00  0.728511D+01 -0.509379D+01  0.849622D-01
      3   0.113715D+01 -0.227144D+00 -0.210282D+01  0.231898D+01  0.173433D+01
      4  -0.302038D+01  0.225481D+01  0.113644D+01 -0.118511D+01 -0.611904D+01
      5   0.118523D+01 -0.335788D+00 -0.109988D+01  0.131771D+01  0.236566D+01
      6  -0.370747D+01 -0.261609D+00 -0.559454D+01  0.629162D+01  0.319267D+00
               206           207           208           209           210 
      1   0.120298D+02 -0.153702D+02 -0.916887D+01 -0.782425D+01  0.147084D+01
      2  -0.131375D+02  0.455044D+01  0.642892D+01  0.744616D+01 -0.823668D+00
      3   0.110766D+01  0.108197D+02  0.273995D+01  0.378092D+00 -0.647170D+00
      4  -0.488062D+01  0.252126D+01 -0.190800D+00 -0.799351D+01 -0.220071D+00
      5   0.402839D+01 -0.992252D+01  0.153069D+01  0.524096D+00 -0.181274D+01
      6   0.169926D+02 -0.347967D+02 -0.587345D+00 -0.317795D+00  0.271629D+00
               211           212           213           214           215 
      1  -0.148566D+02 -0.145112D+02  0.153149D+01  0.294470D+01  0.204089D+01
      2   0.850491D+01  0.220528D+02 -0.203008D+01 -0.177009D+01 -0.239211D+01
      3   0.635166D+01 -0.754157D+01  0.498593D+00 -0.117461D+01  0.351226D+00
      4   0.394216D+01 -0.330443D+02  0.124346D+01 -0.264607D+00  0.432953D+01
      5   0.149486D+01  0.227519D+01 -0.701634D+01  0.204722D+01 -0.388558D+01
      6   0.472549D-01 -0.112822D+01  0.325810D+01  0.331838D-01  0.407529D+01
               216 
      1  -0.189051D+01
      2   0.845280D+00
      3   0.104523D+01
      4  -0.328635D+01
      5  -0.220137D+00
      6  -0.476148D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.128970D+01      0.327809D+01      0.109345D+02
   x         -0.113013D+01     -0.287250D+01     -0.958162D+01
   y         -0.243536D+00     -0.619006D+00     -0.206478D+01
   z          0.571690D+00      0.145309D+01      0.484699D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.929318D+02      0.137711D+02      0.153224D+02
   aniso      0.228726D+02      0.338937D+01      0.377119D+01
   xx         0.102821D+03      0.152364D+02      0.169528D+02
   yx         0.208616D+01      0.309137D+00      0.343962D+00
   yy         0.978111D+02      0.144941D+02      0.161269D+02
   zx         0.263270D+00      0.390126D-01      0.434074D-01
   zy        -0.338801D+00     -0.502051D-01     -0.558608D-01
   zz         0.781635D+02      0.115826D+02      0.128874D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.100146D+03      0.148402D+02      0.165119D+02
   aniso      0.228231D+02      0.338203D+01      0.376301D+01
   xx         0.110236D+03      0.163353D+02      0.181755D+02
   yx         0.144085D+01      0.213512D+00      0.237564D+00
   yy         0.104848D+03      0.155368D+02      0.172870D+02
   zx         0.318107D+00      0.471386D-01      0.524488D-01
   zy        -0.347370D+00     -0.514750D-01     -0.572736D-01
   zz         0.853558D+02      0.126484D+02      0.140733D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.54266994          2.02535122          1.29161337
     6         -0.95635198         -0.26567440          2.91046175
     6          0.42874544          2.32943939         -0.77478669
     6          0.65713622         -0.12673095         -2.26956908
     8          1.21589653         -2.17742244         -0.58644082
     6         -0.67563164         -2.60931000          1.24545992
     8         -1.56754017          4.29978237          2.72019065
     1         -3.39174972          1.73724001          0.39438122
     8         -2.95553432         -0.54377077          4.67341486
     1          0.84941378          0.04563134          3.88969116
     1          2.25641581          2.74168966          0.11881756
     8         -0.24524049          4.28506982         -2.47289372
     6          2.76466779         -0.07912372         -4.20702944
     1         -1.13859687         -0.50644186         -3.23503627
     8         -0.01798028         -4.73711711          2.66030487
     1         -2.48581180         -3.06093689          0.34406462
     1         -2.78128510          4.10303366          4.06586480
     1         -2.70414890         -2.11045991          5.57229880
     1         -0.69008841          5.74227380         -1.46977825
     8          2.87030051         -2.35536506         -5.60838635
     1          4.55977624          0.28839379         -3.23345777
     1          2.42446799          1.44801353         -5.54191629
     1          1.70184111         -4.51586438          3.23634673
     1          2.94517143         -3.72569013         -4.40770545

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.128970D+01      0.327809D+01      0.109345D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.128970D+01      0.327809D+01      0.109345D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.929318D+02      0.137711D+02      0.153224D+02
   aniso      0.228726D+02      0.338937D+01      0.377119D+01
   xx         0.838819D+02      0.124300D+02      0.138303D+02
   yx        -0.282562D+01     -0.418713D+00     -0.465881D+00
   yy         0.965736D+02      0.143107D+02      0.159228D+02
   zx        -0.973500D+01     -0.144258D+01     -0.160508D+01
   zy        -0.307035D+01     -0.454979D+00     -0.506233D+00
   zz         0.983397D+02      0.145724D+02      0.162140D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.100146D+03      0.148402D+02      0.165119D+02
   aniso      0.228231D+02      0.338203D+01      0.376301D+01
   xx         0.912369D+02      0.135199D+02      0.150429D+02
   yx        -0.313099D+01     -0.463965D+00     -0.516230D+00
   yy         0.103759D+03      0.153756D+02      0.171076D+02
   zx        -0.986658D+01     -0.146208D+01     -0.162678D+01
   zy        -0.249697D+01     -0.370013D+00     -0.411695D+00
   zz         0.105443D+03      0.156250D+02      0.173852D+02

 ----------------------------------------------------------------------
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 000466\\\@


 IT IS IMPOSSIBLE TO MEDITATE ON TIME AND THE MYSTERY 
 OF NATURE WITHOUT AN OVERWHELMING EMOTION AT THE
 LIMITATIONS OF HUMAN INTELLIGENCE.

                                         -- ALFRED NORTH WHITEHEAD
 Job cpu time:       0 days 14 hours 21 minutes  9.8 seconds.
 Elapsed time:       0 days  1 hours 47 minutes 43.5 seconds.
 File lengths (MBytes):  RWF=    462 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 23:49:11 2021.
